For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-3-hydroxy-1-methyl-prop-1-enyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid methyl ester

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

(2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-3-hydroxy-1-methyl-prop-1-enyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid methyl ester
SpectraBase Compound ID 1nRSIIMjwTY
InChI InChI=1S/C22H32O4/c1-14-9-10-19(24)18-13-16(3)21(15(2)11-12-23)17(22(14)18)7-5-6-8-20(25)26-4/h5-8,11,13-14,17-19,21-24H,9-10,12H2,1-4H3/b7-5+,8-6+,15-11+/t14-,17+,18+,19-,21+,22-/m1/s1
InChIKey BIXRBOHCIZTJQQ-MIAGRYQXSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol
Enantiomer InChIKey BIXRBOHCIZTJQQ-NBLDSHALSA-N

View Spectrum of (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-3-hydroxy-1-methyl-prop-1-enyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid methyl ester

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum G4-69-1201-6

View Spectrum of (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-3-hydroxy-1-methyl-prop-1-enyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid methyl ester

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,2R,4aS,5R,8R,8aR)-5-Hydroxy-2-((E)-3-hydroxy-1-methyl-propenyl)-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl]-penta-2,4-dienoic ad methyl ester
CARNEIC_ACID_B;5-[5-R-HYDROXY-2-S-(3-HYDROXY-1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-OCTAHYDRONAPHTHALEN-1-YL]-PENTA-2-E,4-E-DIENOIC-ACID
XIRLHVYQXABJTF-LRNAHUNVSA-N
(3R,4aS,5R)-3,8-Dimethyl-5-isopropenyl-3-methoxy-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
No Name
(2.alpha.,3.alpha.,6.alpha.,7.alpha.,10.alpha.,11.alpha.)-2,3:6,7:10,11-Triepoxy-1,2,3,4,4b,5,6,7,8,8b,9,10,11,12,12b,12d-hexadecahydro-12d-methyldibenzo[2,3:4,5]pentaleno[1,6-a,b]indene
15-(OMEGA-HYDROXYTRICONTANOYL)-(-)-LABDA-7,13-DIENE-3,15-DIOL
Trichocarane D
(-)-(1R,4S,4aR,8aS)-4-(2-{[tert-Butyl(dimethyl)silyl]oxy}ethyl)-3,4a,8,8-tetramethyl-1,4,4a,5,6,7,8a-octahydro-1-naphthalenol
Tricyclo[4.2.1.0(2,5)]nona-3,7-diene-3,4,7,8-tetracarboxylic acid, tetramethyl ester, (2.alpha.,5.alpha.,6.alpha.,9.alpha.)-
Bicyclo[3.3.1]non-2-ene-9-methanol, 1,2,6-trimethyl-9-propyl-, (endo,anti)-(.+-.)-
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
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.