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

NP0332570

1S,5S,7R,8R,3-exo,7-endo-(+)-9-deoxygoniopypyrone

Not Available

C₁₃H₁₄O₄

234.2510 Da
234.08921 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)

NP0332571

Triacyl myo-inositol I3:22(i4,i4,n14)

Not Available

C₂₈H₅₀O₉

530.6990 Da
530.34548 Da

¹H NMR Spectrum (1D, 800 MHz, CD₃CN, simulated)
¹³C NMR Spectrum (1D, 201 MHz, CD₃CN, simulated)
¹H NMR Spectrum (1D, 801 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 202 MHz, CD3CN, experimental)

NP0332572

Triacyl myo-inositol I3:22(i4,i4,(3R)-OH-n14)

Not Available

C₂₈H₅₀O₁₀

546.6980 Da
546.34040 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)

NP0332573

Triacyl myo-inositol I3:22(i4,i4,3-OH-i14)

Not Available

C₂₈H₅₀O₁₀

546.6980 Da
546.34040 Da

¹H NMR Spectrum (1D, 600 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3CN, experimental)

NP0332574

Triacyl myo-inositol I3:22(i4,i4,i14)

Not Available

C₂₈H₅₀O₉

530.6990 Da
530.34548 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃CN, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃CN, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3CN, experimental)

NP0332575

4-O-β-arabinosyl-myo-inositol

Not Available

C₁₁H₂₀O₁₀

312.2710 Da
312.10565 Da

¹³C NMR Spectrum (1D, 126 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D2O, experimental)

NP0332576

Taveuniamide N

Not Available

C₁₇H₂₃Cl₄NO

399.1800 Da
397.05338 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)

NP0332577

Taveuniamide M

Not Available

C₁₇H₂₅Cl₄NO

401.1900 Da
399.06903 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)

NP0332578

Taveuniamide F

Not Available

C₁₇H₂₆Cl₃NO

366.7500 Da
365.10800 Da

¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332579

Taveuniamide L

Not Available

C₁₇H₂₄Cl₃NO

364.7400 Da
363.09235 Da

¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332580

Neocyathin F

Not Available

C₄₀H₅₆O₁₀

696.8780 Da
696.38735 Da

¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)

NP0332581

Neocyathin E

Not Available

C₂₀H₃₀O₄

334.4560 Da
334.21441 Da

¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)

NP0332582

Neocyathin C

Not Available

C₂₀H₃₀O₅

350.4550 Da
350.20932 Da

¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)

NP0332583

Akunolide B acyclic derivative

Not Available

C₃₆H₆₈O₁₁

676.9290 Da
676.47616 Da

¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)

NP0332584

Akunolide B acetonide derivative

Not Available

C₃₉H₇₂O₁₁

716.9940 Da
716.50746 Da

[¹H , ¹H ]-NOESY NMR Spectrum (1D, 392 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 396 MHz, C6D6, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 396 MHz, C6D6, experimental)
[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 396 MHz, C6D6, experimental)

NP0332585

Fimbricalyxoid E

Not Available

C₁₈H₂₀O₅

316.3530 Da
316.13107 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332586

Fimbricalyxoid F

Not Available

C₁₆H₁₈O₄

274.3160 Da
274.12051 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0332587

Fimbricalyxone

Not Available

C₁₇H₁₆O₄

284.3110 Da
284.10486 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332588

Fimbricalxyxanhydride C

Not Available

C₁₇H₁₄O₆

314.2930 Da
314.07904 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332589

1-hydroarmillaricin

Not Available

C₂₄H₂₉ClO₅

432.9400 Da
432.17035 Da

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

NP0332590

5’-O-desmethylarmillaribin

Not Available

C₂₃H₂₆O₅

382.4560 Da
382.17802 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 , ¹³C ]-HSQC 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, C2D6OS, experimental)

NP0332591

Kavaratamide A

Not Available

C₃₂H₅₅N₃O₈

609.8050 Da
609.39892 Da

[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 126 MHz, CDCL3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCL3, experimental)

NP0332592

Compound 12a

Not Available

C₃₃H₃₈O₁₀

594.6570 Da
594.24650 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)

NP0332593

Compound 8

Not Available

C₃₀H₃₄O₈

522.5940 Da
522.22537 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0332594

Compound 12b

Not Available

C₃₃H₃₈O₁₀

594.6570 Da
594.24650 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)

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