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Displaying natural products 280426 - 280450 of 290052 in total
NP-MRD ID
CAS Number
Compound Name Species of OriginChemical StructureChemical Formula
Average Mass
Monoisotopic Mass
NMR Spectra
isopsoralen
  • Not Available
ThumbC11H6O3

186.1660 Da
186.03169 Da
1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
N-(4-hydroxyphenethyl)aceuamide
  • Not Available
ThumbC10H13NO2

179.2190 Da
179.09463 Da
1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
Sheptide A
  • Not Available
ThumbC35H49N5O5

619.8070 Da
619.37337 Da
13C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
1H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
(1R,4R,6R,9R,10S)-9-Hydroxymethyl-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecane-9-ol
  • Not Available
ThumbC15H26O3

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)
Isocaryophyllene-4R,5S-oxide
  • Not Available
ThumbC15H24O

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)
((1R,4R,6R,10S)-12,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl)methyl methanesulfonate
  • Not Available
ThumbC16H26O4S

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)
(1S,5R,9R)-5-((tert-Butyldimethylsilyl)oxy)-10,10-dimethyl-6-methylenebicyclo[7.2.0]undecane-2-one
  • Not Available
ThumbC20H36O2Si

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)
((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
ThumbC34H56O8

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)
Isocaryophyllene-4S,5R-oxide
  • Not Available
ThumbC15H24O

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)
(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
ThumbC15H24O2

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)
(1R,4R,6R,9S,10S) 9 Hydroxymethyl 4,12,12 trimethyl 5 oxatricyclo[8.2.0.04,6]dodecane-9-ol
  • Not Available
ThumbC15H26O3

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)
Linariophyllene B
  • Not Available
ThumbC15H26O3

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)
((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
ThumbC17H28O4

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)
Rumphellolide H
  • Not Available
ThumbC15H26O3

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)
Linariophyllene A
  • Not Available
ThumbC15H26O3

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)
(1R,4R,5R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undecane-4,5-diol
  • Not Available
ThumbC15H26O2

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)
(1S,2R,5R,9R)-5-((tert¬-Butyldimethylsilyl)oxy)-2-(hydroxymethyl)-10,10-dimethyl-6-methylenebicyclo[7.2.0]undecane-2-ol
  • Not Available
ThumbC21H40O3Si

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)
((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
ThumbC17H28O4

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)
((1R,4R,6R,10S)-12,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl)methanol
  • Not Available
ThumbC15H24O2

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)
(1S,5R,9R)-10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecan-5-ol
  • Not Available
ThumbC15H24O

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)
(1R,4S,5R,9S)-11,11-Dimethyl-8-methylenespiro[bicyclo[7.2.0]undecane-4,2'-oxiran]-5-ol
  • Not Available
ThumbC15H24O2

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)
Linariophyllene C
  • Not Available
ThumbC17H28O4

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)
((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
ThumbC17H28O4

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)
((1S,2S,5R,8R,9R)-8-Hydroxy-4,4,8-trimethyl-12-oxatricyclo[7.2.1.02,5]dodecan-1-yl)methyl acetate
  • Not Available
ThumbC17H28O4

296.4070 Da
296.19876 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)
1S,2R,5R,9R,Z)-5-((tert-Butyldimethylsilyl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6,10,10-trimethylbicyclo[7.2.0]undec-6-en-2-ol
  • Not Available
ThumbC27H54O3Si2

482.8960 Da
482.36115 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)
Displaying natural products 280426 - 280450 of 290052 in total