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

NP0341902

8´-en-achillinin

Not Available

C₃₀H₃₄O₈

522.5940 Da
522.22537 Da

¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0341903

7-en-13-hytanaphallin

Not Available

C₁₅H₁₈O₅

278.3040 Da
278.11542 Da

¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0341904

argyinolide O

Not Available

C₃₀H₃₄O₆

490.5960 Da
490.23554 Da

¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0341905

(+)-8-acetylarteminolide

Not Available

C₃₂H₃₆O₈

548.6320 Da
548.24102 Da

¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0341907

13β-taxusin

Not Available

C₂₈H₄₀O₈

504.6200 Da
504.27232 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)

NP0341908

1β-hydroxytaxusin

Not Available

C₂₈H₄₀O₉

520.6190 Da
520.26723 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0341917

pullenvalene E

Not Available

C₄₈H₈₂N₂O₁₅

927.1830 Da
926.57152 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0341918

pullenvalene F

Not Available

C₄₈H₈₂N₂O₁₆

943.1820 Da
942.56643 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0341919

pullenvalene G

Not Available

C₃₈H₆₅NO₁₀

695.9350 Da
695.46085 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0341920

pullenvalene H

Not Available

C₄₇H₈₀N₂O₁₅

913.1560 Da
912.55587 Da

¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0341923

N-vanillyl-4E,6E-dien-8-methylnonanamide

Not Available

C₁₈H₂₅NO₃

303.4020 Da
303.18344 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)

NP0341924

ω-hydroxycapsaicin

Not Available

C₁₈H₂₇NO₄

321.4170 Da
321.19401 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)

NP0341925

N-heptanoate vanillylamide

Not Available

C₁₅H₂₃NO₃

265.3530 Da
265.16779 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)

NP0341926

nornordihydrocapsaicin

Not Available

C₁₆H₂₅NO₃

279.3800 Da
279.18344 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)

NP0341927

N-Isovalerylvanillylamin

Not Available

C₁₃H₁₉NO₃

237.2990 Da
237.13649 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)

NP0341928

N-(4-hydroxy-3-methoxybenzyl)-8-methyl-7-oxononanamide

Not Available

C₁₈H₂₇NO₄

321.4170 Da
321.19401 Da

¹H NMR Spectrum (1D, 401 MHz, CD3CN, experimental)

NP0341929

Epicapsaicin

Not Available

C₁₈H₂₇NO₄

321.4170 Da
321.19401 Da

¹H NMR Spectrum (1D, 401 MHz, CD3CN, experimental)

NP0341930

N-vanillyl-9-hydroxydecanamide

Not Available

C₁₈H₂₉NO₄

323.4330 Da
323.20966 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)

NP0341931

N-vanillyl-7-hydroxy-8-methylnonamide

Not Available

C₁₈H₂₉NO₄

323.4330 Da
323.20966 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)

NP0341932

N-vanillyl 6-Methyl-2,4-heptadienamide

Not Available

C₁₆H₂₁NO₃

275.3480 Da
275.15214 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0341933

5,5'-dicapsaicin

Not Available

C₃₆H₅₂N₂O₆

608.8200 Da
608.38254 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)

NP0341934

N-vanillylbutyramide

Not Available

C₁₂H₁₇NO₃

223.2720 Da
223.12084 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)

NP0341935

N-vanillyl-isobutyramide

Not Available

C₁₂H₁₇NO₃

223.2720 Da
223.12084 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3CN, experimental)

NP0341936

N-vanillyl-capsaicin ether

Not Available

C₂₆H₃₅NO₅

441.5680 Da
441.25152 Da

¹H NMR Spectrum (1D, 600 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3CN, experimental)

NP0341943

Eremoxylarin D

Not Available

C₂₃H₃₂O₆

404.5030 Da
404.21989 Da

¹H NMR Spectrum (1D, 500, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

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