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

NP0331488

Thorectidol Acetate

Not Available

C₂₄H₃₂O₄

384.5160 Da
384.23006 Da

[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)

NP0331489

N-deethylmethyllycaconitine

Not Available

C₃₅H₄₆N₂O₁₀

654.7570 Da
654.31525 Da

¹³C NMR Spectrum (1D, 150.82, CD₃OD, simulated)
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)

NP0331490

Shawurenine C

Not Available

C₃₆H₅₀N₂O₁₁

686.7990 Da
686.34146 Da

¹³C NMR Spectrum (1D, 150.82, CD₃OD, simulated)
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)

NP0331491

Shawurenine D

Not Available

C₃₆H₅₀N₂O₁₁

686.7990 Da
686.34146 Da

¹³C NMR Spectrum (1D, 150.82, CD₃OD, simulated)
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)

NP0331492

Unguisin I

Not Available

C₄₀H₅₄N₈O₇

758.9210 Da
758.41155 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0331493

Unguisin H

Not Available

C₄₂H₅₈N₈O₇

786.9750 Da
786.44285 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 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)

NP0331494

Voatriafricanine A

Not Available

C₆₂H₇₀N₆O₈

1027.2760 Da
1026.52551 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0331495

Voatriafricanine B

Not Available

C₆₃H₇₂N₆O₉

1057.3020 Da
1056.53608 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, 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)

NP0331496

(3R,8aR)-3-benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Not Available

C₁₄H₁₆N₂O₂

244.2940 Da
244.12118 Da

¹H NMR Spectrum (1D, simulated)

NP0331497

(3R,8aR)-3-isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Not Available

C₁₁H₁₈N₂O₂

210.2770 Da
210.13683 Da

¹H NMR Spectrum (1D, simulated)

NP0331498

(S)-6-((S)-5-hydroxy-6-methylheptyl)-5,6-dihydro-2H-pyran-2-one

Not Available

C₁₃H₂₂O₃

226.3160 Da
226.15689 Da

¹H NMR Spectrum (1D, simulated)

NP0331499

(3R,8aR)-3-((S)-sec-butyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Not Available

C₁₁H₁₈N₂O₂

210.2770 Da
210.13683 Da

¹H NMR Spectrum (1D, simulated)

NP0331500

Weizhouochrone A

Not Available

C₂₈H₃₂O₂

400.5620 Da
400.24023 Da

¹H NMR Spectrum (1D, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
²H NMR Spectrum (1D, 92 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, 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)

NP0331501

Arteannusesoside B

Not Available

C₂₁H₃₆O₈

416.5110 Da
416.24102 Da

¹H NMR Spectrum (1D, 500.11, CD₃OD, simulated)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0331502

Arteannumonoside D

Not Available

C₂₁H₃₄O₁₁

462.4920 Da
462.21011 Da

¹H NMR Spectrum (1D, 500.11, CD₃OD, simulated)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0331503

Arteannumonoside C

Not Available

C₁₆H₂₈O₇

332.3930 Da
332.18350 Da

¹H NMR Spectrum (1D, 500.11, CD₃OD, simulated)
¹H NMR Spectrum (1D, 400 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, D2O, experimental)

NP0331504

Arteannusesoside A

Not Available

C₂₁H₃₄O₈

414.4950 Da
414.22537 Da

¹H NMR Spectrum (1D, 500.11, CD₃OD, simulated)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0331505

Arteannumonoside A

Not Available

C₁₆H₂₆O₇

330.3770 Da
330.16785 Da

¹H NMR Spectrum (1D, 500.11, CD₃OD, simulated)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0331506

Arteannumonoside E

Not Available

C₂₁H₃₆O₁₁

464.5080 Da
464.22576 Da

¹H NMR Spectrum (1D, 500.11, CD₃OD, simulated)
¹H NMR Spectrum (1D, 400 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, D2O, experimental)

NP0331507

Arteannumonoside B

Not Available

C₁₆H₂₈O₇

332.3930 Da
332.18350 Da

¹H NMR Spectrum (1D, 500.11, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)

NP0331510

Methylisoeugenol

Not Available

C₁₁H₁₄O₂

178.2310 Da
178.09938 Da

¹H NMR Spectrum (1D, 500.33, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0331511

(E)-2-methoxy-6-(prop-1-en-1-yl)phenol

Not Available

C₁₀H₁₂O₂

164.2040 Da
164.08373 Da

¹H NMR Spectrum (1D, 500.33, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0331512

3-(4-hydroxy-3,5-dimethoxy-phenyl)-1,2-propanediol

Not Available

C₁₁H₁₆O₅

228.2440 Da
228.09977 Da

¹H NMR Spectrum (1D, 500.33, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331513

1-(3,4-dimethoxyphenyl)-1,2-propane dione

Not Available

C₁₁H₁₂O₄

208.2130 Da
208.07356 Da

¹H NMR Spectrum (1D, 500.33, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331514

Myristriol

Not Available

C₁₁H₁₄O₆

242.2270 Da
242.07904 Da

¹H NMR Spectrum (1D, 600.13, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 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)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

Browsing natural products

Filter by kingdom:

Filter by solvent:

Filter by spectral type:

Filter by nucleus:

Filter by spectra quality:

Filter by assignment quality: