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4-nitrobenzoic acid [(1R,4R,4aR,5R,6S,8aS)-5-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]-4,7-dimethyl-6-[(E)-1-methylprop-1-enyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl] ester

Compound with spectra: 1 NMR

4-nitrobenzoic acid [(1R,4R,4aR,5R,6S,8aS)-5-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]-4,7-dimethyl-6-[(E)-1-methylprop-1-enyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl] ester
SpectraBase Compound ID JRRRKzA48uH
InChI InChI=1S/C29H35NO6/c1-6-18(2)27-20(4)17-24-25(36-29(32)21-12-14-22(15-13-21)30(33)34)16-11-19(3)28(24)23(27)9-7-8-10-26(31)35-5/h6-10,12-15,17,19,23-25,27-28H,11,16H2,1-5H3/b9-7+,10-8+,18-6+/t19-,23+,24+,25-,27+,28-/m1/s1
InChIKey ZMVFZQUHAVPKMC-ZRCSCMEASA-N
Mol Weight 493.6 g/mol
Molecular Formula C29H35NO6
Exact Mass 493.246438 g/mol
Enantiomer InChIKey ZMVFZQUHAVPKMC-XWKBERJLSA-N

View Spectrum of 4-nitrobenzoic acid [(1R,4R,4aR,5R,6S,8aS)-5-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]-4,7-dimethyl-6-[(E)-1-methylprop-1-enyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl] ester

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
15-Hydroxy-2-oxo-6.beta.H,11.alpha.H-13-nor-guaia-3-ene-11,6-carbolactone
METHYL 15-HYDROXY-6-OXO-7-LABDEN-17-OATE
CUMAMBRIN B,8-DESOXY
10-EPI-8-DEOXYCUMAMBRIN
10-Isopropyl-3,7-dimethyl-8-oxohexahydro-1H-azeluene-5-ol 4-Methoxybenzoate
5-Oxo-endo-tricyclo(5.2.1.0/2,6/)deca-3,8-diene-2-carboxylic acid, ethyl ester
ZEDOALACTONE-H;4-BETA,10-ALPHA-DIHYDROXY-1,5,8-BETAH-GUAI-7(11)-EN-12,8-OLIDE
PHAEOCAULISIN_B
4.alpha.,10.alpha.-Dihydroxy-1,5,11.alpha.,8.beta.H-guaian-8,12-olide [(+)-Zedolactone A]
ZEDOALACTONE-A;(1S*,4S*,8R*,10S*)-4,10-DIHYDROXYGUAI-7(11)-EN-12,8-OLIDE
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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