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

NP0331994

3,4,5-Trihydroxy-7-megastigmen-9-one

Not Available

C₁₃H₂₂O₄

242.3150 Da
242.15181 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0331995

Crocusatin B

Not Available

C₁₀H₁₆O₃

184.2350 Da
184.10994 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0331996

3-hydroxy-5α,6α-epoxy-β-ionone

Not Available

C₁₃H₂₀O₃

224.3000 Da
224.14124 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0331997

3-hydroxy-5β,6β-epoxy-β-ionone

Not Available

C₁₃H₂₀O₃

224.3000 Da
224.14124 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0331998

trans-(3R,6R)-3-hydroxyl-α-ionylideneacetic acid

Not Available

C₁₅H₂₂O₃

250.3380 Da
250.15689 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0331999

(Z)-2-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene) acetic acid

Not Available

C₁₁H₁₈O₄

214.2610 Da
214.12051 Da

¹H NMR Spectrum (1D, 600, C3D6O, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332000

Tageteserectone A

Not Available

C₁₅H₂₀O₃

248.3220 Da
248.14124 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0332001

Cyclo-(Phe-Ser)

Not Available

C₁₂H₁₄N₂O₃

234.2550 Da
234.10044 Da

¹H NMR Spectrum (1D, 600, C2D6OS, simulated)

NP0332002

Butyl (5R,6R,7S,8S)-5,6,7,8-tetrahydro-6,7,8-trihydroxy-5-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate

Not Available

C₁₃H₂₀N₂O₆

300.3110 Da
300.13214 Da

¹H NMR Spectrum (1D, 600, C2D6OS, simulated)

NP0332003

Cyclo-(Val-Ala)

Not Available

C₈H₁₄N₂O₂

170.2120 Da
170.10553 Da

¹H NMR Spectrum (1D, 300, C2D6OS, simulated)

NP0332004

Methyl (5R,6R,7S,8S)-5,6,7,8-tetrahydro-6,7,8-trihydroxy-5-(hydroxymethyl)imidazo[1,2-a]pyridine-2 carboxylate

Not Available

C₁₀H₁₄N₂O₆

258.2300 Da
258.08519 Da

¹H NMR Spectrum (1D, 400, C2D6OS, simulated)

NP0332005

Cyclo-(Ala-Pro)

Not Available

C₈H₁₂N₂O₂

168.1960 Da
168.08988 Da

¹H NMR Spectrum (1D, 300, C2D6OS, simulated)

NP0332006

Cyclo-(Gly-Pro)

Not Available

C₇H₁₀N₂O₂

154.1690 Da
154.07423 Da

¹H NMR Spectrum (1D, 300, C2D6OS, simulated)

NP0332008

Aminosalicylic Acid

Not Available

C₇H₇NO₃

153.1354 Da
153.04259 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332009

4-Quinolinol

Not Available

C₉H₇NO

145.1580 Da
145.05276 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332010

Tetradecanol

Not Available

C₁₄H₃₀O

214.3874 Da
214.22967 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0332011

amphicordin A

Not Available

C₁₆H₁₉ClO₄

310.7700 Da
310.09719 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0332012

amphicordin C

Not Available

C₁₈H₂₂O₆

334.3680 Da
334.14164 Da

¹H NMR Spectrum (1D, 400, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0332013

amphicordin D

Not Available

C₁₉H₂₆O₇

366.4100 Da
366.16785 Da

¹H NMR Spectrum (1D, 400, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0332014

amphicordin B

Not Available

C₁₈H₂₂O₆

334.3680 Da
334.14164 Da

¹H NMR Spectrum (1D, 400, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0332015

Alstoboonine

Not Available

C₁₉H₂₁N₂O₄

341.3860 Da
341.14958 Da

¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332016

Akunolide B (S)-MTPA ester at C-9

Not Available

C₄₆H₆₇F₃O₁₂

869.0250 Da
868.45846 Da

¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 396 MHz, CD3OD, experimental)

NP0332017

Reducted akunolide A and B

Not Available

C₃₆H₆₆O₁₀

658.9140 Da
658.46560 Da

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

NP0332019

Akunolide C

Not Available

C₃₅H₅₈O₁₀

638.8390 Da
638.40300 Da

[¹H, ¹H] NMR Spectrum (2D, 392 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 100 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 392 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 396 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 392 MHz, CD3OD, experimental)

NP0332020

Akunolide D

Not Available

C₃₅H₆₀O₁₀

640.8550 Da
640.41865 Da

¹³C NMR Spectrum (1D, 99 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 392 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 396 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 396 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 396 MHz, CD3OD, experimental)

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