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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

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

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
SpectraBase Compound ID 896jmlNxtDZ
InChI InChI=1S/C21H30O4/c1-13-8-9-18(23)17-12-15(3)20(14(2)10-11-22)16(21(13)17)6-4-5-7-19(24)25/h4-7,10,12-13,16-18,20-23H,8-9,11H2,1-3H3,(H,24,25)/b6-4+,7-5+,14-10+/t13-,16+,17+,18-,20+,21-/m1/s1
InChIKey YGIXVFNOSSPFLR-RYAGCBDWSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol
Enantiomer InChIKey YGIXVFNOSSPFLR-WRQOTOLRSA-N

View Spectrum of 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

MS (GC) Spectrum
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Source of Spectrum G4-69-1201-2

View Spectrum of 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

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
  • Carneic acid B
(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
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.)-
(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
Trichocarane D
15-(OMEGA-HYDROXYTRICONTANOYL)-(-)-LABDA-7,13-DIENE-3,15-DIOL
1-naphthalenol. 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,2,3,4,4a,5,6,8a-octahydro-2,5-dimethyl-6(1-propenyl)-,
(-)-(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
2-Naphthalenol, decahydro-1-(3-hydroxy-3-methyl-1,4-pentadienyl)-2,5,5,8a-tetramethyl-, [1R-[1.alpha.(1E,3S*),2.beta.,4a.beta.,8a.alpha.]]-
(11E,13R)-11,14-Labdadiene-8,13-diol
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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