NP-MRD: Browsing natural products

NP-MRD ID
CAS Number Compound Name Species of Origin Chemical Structure Chemical Formula
Average Mass
Monoisotopic Mass NMR Spectra

NP0332860

Accraspiroketide A

Not Available

C₂₈H₁₉Cl₃O₇

573.8000 Da
572.01964 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600.171504755, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332861

Accraspiroketide B

Not Available

C₂₈H₁₈Cl₄O₇

608.2500 Da
605.98066 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332869

Bismelleolide BH

Not Available

C₄₈H₆₀O₁₃

844.9950 Da
844.40339 Da

¹³C NMR Spectrum (1D, 176 MHz, C3D6O, simulated)
[¹H , ¹³C ]-FAILED_TO_DETECT NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)

NP0332870

Bismelleolide EH

Not Available

C₄₇H₅₈O₁₃

830.9680 Da
830.38774 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C3D6O, simulated)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)

NP0332871

Bismelleolide CH

Not Available

C₄₈H₆₀O₁₄

860.9940 Da
860.39831 Da

¹³C NMR Spectrum (1D, 176 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 700 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 177 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)

NP0332872

Melleolide linoleate

Not Available

C₄₁H₅₈O₇

662.9080 Da
662.41825 Da

¹³C NMR Spectrum (1D, 176 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 700 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 177 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)

NP0332873

Armillarine linoleate

Not Available

C₄₂H₆₀O₇

676.9350 Da
676.43390 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)

NP0332874

Melleolide H linoleate

Not Available

C₄₂H₆₀O₈

692.9340 Da
692.42882 Da

¹H NMR Spectrum (1D, 700 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)

NP0332875

4-dehydroxyarmillaridin

Not Available

C₂₄H₂₉ClO₅

432.9400 Da
432.17035 Da

¹³C NMR Spectrum (1D, 126 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)

NP0332876

4-methoxymelleolide H

Not Available

C₂₅H₃₂O₇

444.5240 Da
444.21480 Da

¹³C NMR Spectrum (1D, 126 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)

NP0332877

10-hydroxy-5’-O-methylarmillane

Not Available

C₂₄H₃₄O₈

450.5280 Da
450.22537 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)

NP0332878

4-Dehydroxymelleolide F

Not Available

C₂₃H₃₀O₅

386.4880 Da
386.20932 Da

¹³C NMR Spectrum (1D, 126 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)

NP0332879

10-Ketomelleolide E

Not Available

C₂₃H₂₈O₇

416.4700 Da
416.18350 Da

¹H NMR Spectrum (1D, 700 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C3D6O, experimental)

NP0332880

4,10-dehydroxymelleolide I

Not Available

C₂₄H₃₁ClO₅

434.9600 Da
434.18600 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)

NP0332881

4-Dehydroxymelleolide I

Not Available

C₂₄H₃₁ClO₆

450.9600 Da
450.18092 Da

¹H NMR Spectrum (1D, 700 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C3D6O, experimental)

NP0332882

10-Ketomelleolide I

Not Available

C₂₄H₂₉ClO₇

464.9400 Da
464.16018 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)

NP0332883

4-Acetylarmillaridin

Not Available

C₂₆H₃₁ClO₇

490.9800 Da
490.17583 Da

¹H NMR Spectrum (1D, 700 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)

NP0332884

slamysin

Not Available

C₂₃H₃₅NO₅

405.5350 Da
405.25152 Da

¹³C NMR Spectrum (1D, 101 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 400.132200715, C3D6O, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 401 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, CD3OD, experimental)

NP0332885

wajeepeptin

Not Available

C₄₅H₇₉N₇O₁₁

894.1650 Da
893.58376 Da

[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 100 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 396 MHz, CD3OD, experimental)

NP0332886

Asperustin A

Not Available

C₂₀H₁₇ClO₇

404.8000 Da
404.06628 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0332887

Asperustin B

Not Available

C₂₁H₁₇ClO₈

432.8100 Da
432.06120 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0332888

Asperustin C

Not Available

C₂₃H₂₄O₈

428.4370 Da
428.14712 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0332889

Asperustin D

Not Available

C₂₀H₁₇ClO₇

404.8000 Da
404.06628 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0332890

Asperustin E

Not Available

C₂₃H₂₄O₈

428.4370 Da
428.14712 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0332891

Asperustin F

Not Available

C₂₀H₁₇ClO₈

420.8000 Da
420.06120 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

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