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

NP0331804

4-methoxybenzoicacid

Not Available

C₈H₈O₃

152.1473 Da
152.04734 Da

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

NP0331805

3-hydroxy-4-methoxybenzoicacid

Not Available

C₈H₈O₄

168.1467 Da
168.04226 Da

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

NP0331806

isopsoralen

Not Available

C₁₁H₆O₃

186.1660 Da
186.03169 Da

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

NP0331807

N-(4-hydroxyphenethyl)aceuamide

Not Available

C₁₀H₁₃NO₂

179.2190 Da
179.09463 Da

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

NP0331808

Sheptide A

Not Available

C₃₅H₄₉N₅O₅

619.8070 Da
619.37337 Da

¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)

NP0331809

(1R,4R,6R,9R,10S)-9-Hydroxymethyl-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecane-9-ol

Not Available

C₁₅H₂₆O₃

254.3700 Da
254.18819 Da

¹³C NMR Spectrum (1D, 100.578570142, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101, 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 NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0331810

Isocaryophyllene-4R,5S-oxide

Not Available

C₁₅H₂₄O

220.3560 Da
220.18272 Da

¹³C NMR Spectrum (1D, 100.578570142, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101, 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 NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0331811

((1R,4R,6R,10S)-12,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl)methyl methanesulfonate

Not Available

C₁₆H₂₆O₄S

314.4400 Da
314.15518 Da

¹³C NMR Spectrum (1D, 100.578570142, C₆D₆, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 400 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 400 MHz, C6D6, experimental)

NP0331812

(1S,5R,9R)-5-((tert-Butyldimethylsilyl)oxy)-10,10-dimethyl-6-methylenebicyclo[7.2.0]undecane-2-one

Not Available

C₂₀H₃₆O₂Si

336.5910 Da
336.24846 Da

¹³C NMR Spectrum (1D, 100.578570142, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0331813

((1R,4S,6R,9S,10S)-9-Hydroxy-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-yl)methyl acetate and ((1R,2S,5R,8S,9S)-8-hydroxy-4,4,8-trimethyl-12-oxatricyclo[7.2.1.02,5]dodecan-1-yl)methyl acetate

Not Available

C₃₄H₅₆O₈

592.8140 Da
592.39752 Da

¹³C NMR Spectrum (1D, 100.578570142, C3D6O, simulated)
¹³C NMR Spectrum (1D, 101, C3D6O, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)

NP0331814

Isocaryophyllene-4S,5R-oxide

Not Available

C₁₅H₂₄O

220.3560 Da
220.18272 Da

¹³C NMR Spectrum (1D, 100.57, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101, CDCl₃, simulated)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0331815

(1'R,2R,4'R,6'R,10'S)-4',12',12'-Trimethyl-5'-oxaspiro[oxirane-2,9'-tricyclo[8.2.0.04,6]dodecane]

Not Available

C₁₅H₂₄O₂

236.3550 Da
236.17763 Da

¹³C NMR Spectrum (1D, 100.578570142, C₆D₆, simulated)
¹³C NMR Spectrum (1D, 101, C₆D₆, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 400 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 400 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 400 MHz, C6D6, experimental)

NP0331816

(1R,4R,6R,9S,10S) 9 Hydroxymethyl 4,12,12 trimethyl 5 oxatricyclo[8.2.0.04,6]dodecane-9-ol

Not Available

C₁₅H₂₆O₃

254.3700 Da
254.18819 Da

¹³C NMR Spectrum (1D, 100.578570142, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101, 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 NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0331817

Linariophyllene B

Not Available

C₁₅H₂₆O₃

254.3700 Da
254.18819 Da

¹³C NMR Spectrum (1D, 100.578570142, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 101, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 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)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 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)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 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)

NP0331818

((1R,4R,6R,9S,10S)-9-Hydroxy-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-yl)methyl acetate

Not Available

C₁₇H₂₈O₄

296.4070 Da
296.19876 Da

¹³C NMR Spectrum (1D, 100.578570142, C3D6O, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)

NP0331819

Rumphellolide H

Not Available

C₁₅H₂₆O₃

254.3700 Da
254.18819 Da

¹³C NMR Spectrum (1D, 100.578570142, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101, CDCl₃, simulated)
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)
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)

NP0331820

Linariophyllene A

Not Available

C₁₅H₂₆O₃

254.3700 Da
254.18819 Da

¹³C NMR Spectrum (1D, 100.578570142, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 101, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 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)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 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)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 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)

NP0331821

(1R,4R,5R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undecane-4,5-diol

Not Available

C₁₅H₂₆O₂

238.3710 Da
238.19328 Da

¹³C NMR Spectrum (1D, 100.578570142, 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 NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0331822

(1S,2R,5R,9R)-5-((tert¬-Butyldimethylsilyl)oxy)-2-(hydroxymethyl)-10,10-dimethyl-6-methylenebicyclo[7.2.0]undecane-2-ol

Not Available

C₂₁H₄₀O₃Si

368.6330 Da
368.27467 Da

¹³C NMR Spectrum (1D, 100.578570142, 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 NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0331823

((1R,4R,6S,9R,10S)-9-Hydroxy-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-yl)methyl acetate

Not Available

C₁₇H₂₈O₄

296.4070 Da
296.19876 Da

¹³C NMR Spectrum (1D, 100.578570142, C3D6O, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)

NP0331824

((1R,4R,6R,10S)-12,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl)methanol

Not Available

C₁₅H₂₄O₂

236.3550 Da
236.17763 Da

¹³C NMR Spectrum (1D, 100.578570142, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0331825

(1S,5R,9R)-10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecan-5-ol

Not Available

C₁₅H₂₄O

220.3560 Da
220.18272 Da

¹³C NMR Spectrum (1D, 100.578570142, 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 NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0331826

(1R,4S,5R,9S)-11,11-Dimethyl-8-methylenespiro[bicyclo[7.2.0]undecane-4,2'-oxiran]-5-ol

Not Available

C₁₅H₂₄O₂

236.3550 Da
236.17763 Da

¹³C NMR Spectrum (1D, 100.578570142, CDCl₃, simulated)
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)
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)

NP0331827

Linariophyllene C

Not Available

C₁₇H₂₈O₄

296.4070 Da
296.19876 Da

¹³C NMR Spectrum (1D, 100.578570142, C3D6O, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)

NP0331828

((1R,4S,6R,9R,10S)-9-Hydroxy-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-yl)methyl acetate

Not Available

C₁₇H₂₈O₄

296.4070 Da
296.19876 Da

¹³C NMR Spectrum (1D, 100.578570142, C3D6O, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)

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