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methyl (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate

Compound with spectra: 1 NMR, and 1 MS (GC)

methyl (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate
SpectraBase Compound ID J6jXgyu5zrD
InChI InChI=1S/C22H32O3/c1-6-14(2)21-16(4)13-18-19(23)12-11-15(3)22(18)17(21)9-7-8-10-20(24)25-5/h6-10,13,15,17-19,21-23H,11-12H2,1-5H3/b9-7+,10-8+,14-6+/t15-,17+,18+,19-,21+,22-/m1/s1
InChIKey LAQPVZCYDJPNFM-YMFBZAOPSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol
Enantiomer InChIKey LAQPVZCYDJPNFM-WMSUMROPSA-N

View Spectrum of methyl (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum G4-69-1201-5

View Spectrum of methyl (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-5-Hydroxy-3,8-dimethyl-2-((E)-1-methyl-propenyl)-1,2,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl]-penta-2,4-dienoic acid methyl ester
#1;CARNEIC_ACID_A;5-[5-R-HYDROXY-3,8-R-DIMETHYL-2-S-(1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-HYDRONAPHTHALEN-1-YL]-PENTA-2E,4E-DIENOIC-ACID
MK8383
PHOMOPSIDIN
(S)-3-Acetoxyamorpha-4,7(11)-dien-8-one
(E)-6-BETA-HYDROXYLABDA-8(17),13-DIEN-15-OIC-ACID
(endo)-2,7-Dimethyltricyclo[5.2.2.0(1,5)]undec-5-en-8-ol
rac-15-nor-labda-7,13-dien-11-ol
DISCOIDIC ACID
METHYL-(3-R)-3-ACETOXYARTEMISINATE
GOELMEMIXUGWKT-CVEIBUCKSA-N
Title Journal or Book Year
Carneic Acids A and B, Chemotaxonomically Significant Antimicrobial Agents from the Xylariaceous Ascomycete Hypoxylon carneum Journal of Natural Products 2006
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