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

NP0332472

(3S,6R,6'S)-3,6'-bis((1S)-1-((4S,4aS,5aR,6bS,9R,9aS,11aS,11bR)-9a,11b-dimethyl-4-(4-nitrophenoxy)-1-oxo-1,4,5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-9-yl)ethyl)-4'-methylene-3,4,5',6',7,8-hexahydro-2'H,4'H-spiro[isochromene-6,3'-pyran]-1,2'(5H)-dione

Not Available

C₆₈H₇₈N₂O₁₄

1147.3720 Da
1146.54531 Da

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

NP0332471

Gausemycin C

Not Available

C₈₈H₁₂₃ClN₁₈O₂₉

1932.5000 Da
1930.83919 Da

[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
[¹H , ¹H ]-HSQC NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
[¹H , ¹H ]-MLEV NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 202 MHz, C2D6OS, experimental)

NP0332470

Gausemycin F

Not Available

C₈₃H₁₁₅ClN₁₈O₂₅

1800.3800 Da
1798.79693 Da

[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
[¹H , ¹H ]-HSQC NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H , ¹H ]-MLEV NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)

NP0332469

Gausemycin E

Not Available

C₈₂H₁₁₃ClN₁₈O₂₅

1786.3600 Da
1784.78128 Da

[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
[¹H , ¹H ]-HSQC NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H , ¹H ]-MLEV NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)

NP0332468

Gausemycin D

Not Available

C₇₉H₁₀₈ClN₁₇O₂₄

1715.2800 Da
1713.74417 Da

[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-HSQC NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹H ]-MLEV NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0332467

5,7-Dihydroxyflavone

Not Available

C₁₅H₁₀O₄

254.2375 Da
254.05791 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332466

microascone A

Not Available

C₃₄H₄₁NO₄

527.7050 Da
527.30356 Da

NP0332465

microascone D

Not Available

C₃₄H₄₁NO₄

527.7050 Da
527.30356 Da

NP0332464

microascone C

Not Available

C₃₄H₄₁NO₄

527.7050 Da
527.30356 Da

NP0332463

microascone B

Not Available

C₃₄H₄₁NO₅

543.7040 Da
543.29847 Da

NP0332462

microascone E

Not Available

C₃₄H₄₅NO₅

547.7360 Da
547.32977 Da

NP0332461

(17R,20S,22R)-5β,6β-epoxy-4β-hydroxy-1-oxowitha-2,23,25(27)-trienolide

Not Available

C₂₈H₃₆O₅

452.5910 Da
452.25627 Da

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

NP0332460

(17R,20S,22R)-5β,6β-epoxy-4β-acetoxy-1-oxowitha-2,23,25(27)-trienolide

Not Available

C₃₀H₃₈O₆

494.6280 Da
494.26684 Da

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

NP0332459

Favodehyde K

Not Available

C₁₇H₂₂O₄

290.3590 Da
290.15181 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)

NP0332457

Favolasinone A

Not Available

C₁₅H₁₂O₃

240.2580 Da
240.07864 Da

¹H NMR Spectrum (1D, 500 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)

NP0332455

Oudemansin Y

Not Available

C₂₂H₃₀O₅

374.4770 Da
374.20932 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)

NP0332454

Favolasin B

Not Available

C₁₇H₁₇ClO₄

320.7700 Da
320.08154 Da

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

NP0332453

(9Z)-9-methoxystrobilurin G

Not Available

C₂₇H₃₆O₇

472.5780 Da
472.24610 Da

¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)

NP0332452

(9Z)-9-methoxystrobilurin B

Not Available

C₁₈H₂₁ClO₅

352.8100 Da
352.10775 Da

¹H NMR Spectrum (1D, 401 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 401 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, C3D6O, experimental)

NP0332451

3-methylbenzo[b]oxepin-7-carboxylic acid

Not Available

C₁₂H₁₀O₃

202.2090 Da
202.06299 Da

¹H NMR Spectrum (1D, 400 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 401 MHz, C3D6O, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, C3D6O, experimental)

NP0332450

Favolasinone B

Not Available

C₁₆H₁₃ClO₄

304.7300 Da
304.05024 Da

¹H NMR Spectrum (1D, 500 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)

NP0332449

Favodehyde G

Not Available

C₁₇H₂₂O₄

290.3590 Da
290.15181 Da

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

NP0332444

OCT

Not Available

C₂₀H₃₂O

288.4750 Da
288.24532 Da

¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)

NP0332443

Tinotufolin G

Not Available

C₂₃H₃₄O₆

406.5190 Da
406.23554 Da

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

NP0332442

5,11-dihydroxy-3(12)-cyclotaxane

Not Available

C₂₀H₃₄O₂

306.4900 Da
306.25588 Da

[¹H , ¹³C ]-H2BC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-H2BC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-H2BC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)

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