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4-nitrobenzoic acid [(1R,4R,4aR,5R,6R,8aS)-5-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]-4,7-dimethyl-6-[(E)-1-methyl-3-(4-nitrobenzoyl)oxy-prop-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,6R,8aS)-5-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]-4,7-dimethyl-6-[(E)-1-methyl-3-(4-nitrobenzoyl)oxy-prop-1-enyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl] ester
SpectraBase Compound ID JdZ4OR9jnbr
InChI InChI=1S/C36H38N2O10/c1-22-9-18-31(48-36(41)26-12-16-28(17-13-26)38(44)45)30-21-24(3)33(29(34(22)30)7-5-6-8-32(39)46-4)23(2)19-20-47-35(40)25-10-14-27(15-11-25)37(42)43/h5-8,10-17,19,21-22,29-31,33-34H,9,18,20H2,1-4H3/b7-5+,8-6+,23-19+/t22-,29+,30+,31-,33+,34-/m1/s1
InChIKey SCAUWGVIPCQQOB-DCMNDMNASA-N
Mol Weight 658.7 g/mol
Molecular Formula C36H38N2O10
Exact Mass 658.252645 g/mol
Enantiomer InChIKey SCAUWGVIPCQQOB-OCUGJVQVSA-N

View Spectrum of 4-nitrobenzoic acid [(1R,4R,4aR,5R,6R,8aS)-5-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]-4,7-dimethyl-6-[(E)-1-methyl-3-(4-nitrobenzoyl)oxy-prop-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
JACQUILENIN
CESPIHYPOTIN_V
CESPITULARIN_D
benzoic acid, 4-methoxy-4,4a,4b,5,8,8a,9,9a-octahydro-9-oxo-1,4:5,8-dimethano-1H-fluorene-10,11-diyl edter, (1.alpha.,4.alpha.,4a.beta.,4b.alpha.,5.beta.,8.beta.,8a.alpha.,9a.beta.,10S*,11S*)-
CIS-3,5A-DIMETHYL-6-(FORMYLOXY)-1H,7H-5A,6,8,9-TETRAHYDRO-1-OXOPYRANO-[4.3-B]-[1]-BENZOPYRAN
TRANS-3,5A-DIMETHYL-6-(FORMYLOXY)-1H,7H-5A,6,8,9-TETRAHYDRO-1-OXOPYRANO-[4.3-B]-[1]-BENZOPYRAN
O-METHYL-9-OXOFURODYSININLACTONE
CRISPANE;[1-S-[1-ALPHA,2-BETA-(Z),4A-ALPHA,8A-BETA]]-[1,2,4A,5,6,7,8,8A-OCTAHYDRO-1-HYDROXY-4,4A-DIMETHYL-1-(1-METHYLETHYL)-2-NAPHTHALENYL]-2-METHY
CRISPANE
Azuleno[4,5-b]furan-2(3H)-one, 8-(acetyloxy)-3a,4,6a,7,8,9,9a,9b-octahydro-3,6-dimethyl-9-methylene-, [3S-(3.alpha.,3a.alpha.,6a.alpha.,8.beta.,9a.alpha.,9b.beta.)]-
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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