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

NP0341942

MDN-0060

Not Available

C₂₁H₂₂N₂O₄

366.4170 Da
366.15796 Da

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

NP0341941

MDN-0059

Not Available

C₂₁H₂₄N₂O₄

368.4330 Da
368.17361 Da

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

NP0341940

MDN-0058

Not Available

C₂₁H₂₂N₂O₅

382.4160 Da
382.15287 Da

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

NP0341939

MDN-0057

Not Available

C₂₁H₂₄N₂O₅

384.4320 Da
384.16852 Da

[¹H, ¹⁵N] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 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, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0341938

Oxybergamotene H

Not Available

C₁₅H₂₄O₂

236.3550 Da
236.17763 Da

¹H NMR Spectrum (1D, 400, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 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)

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)

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)

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)

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)

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)

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)

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)

NP0341929

Epicapsaicin

Not Available

C₁₈H₂₇NO₄

321.4170 Da
321.19401 Da

¹H NMR Spectrum (1D, 401 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)

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)

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)

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)

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)

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)

NP0341922

N-vanillyl octanamide

Not Available

C₁₆H₂₅NO₃

279.3746 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)

NP0341921

nornorcapsaicin

Not Available

C₁₆H₂₃NO₃

277.3587 Da
277.16779 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)

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)

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)

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)

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)

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