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(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 © 2020-2025 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 © 2016-2025 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
  • Methyl (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-3,8-dimethyl-5-oxidanyl-2-[(E)-4-oxidanylbut-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate
  • Methyl (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate
  • Methyl (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-dienoate
  • (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid methyl ester
  • Carneic acid b-methyl ester
  • 3,8-Dimethyl-2-(1'-methyl-3'-hydroxy-1'-propenyl)-1-[4''-(methoxycarbonyl)buta-1'',3''-dienyl]-5-hydroxy-(octahydro)naphthalene
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
(4R,9S,13Z)-4,12-dihydroxy-4,10-secospata-2,13(15),17-trien-10-one
4-(Dicyanomethylene)tetracyclo[7.2.1.0(2,8).0(5,12)]dodeca-6,10-diene
(3R,4aS,5R)-3,8-Dimethyl-5-isopropenyl-3-methoxy-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
(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
1,11-Dimethyl-endo-tricyclo[5.2.2.0(2,6)]undeca-4,10-dien-8-one
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.)-
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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