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3.beta.-(benzoyloxy)-5.beta.-cholesta-7,14-diene

View entire compound with spectra: 1 MS (GC)

3.beta.-(benzoyloxy)-5.beta.-cholesta-7,14-diene
SpectraBase Compound ID KCduKaoYE9t
InChI InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-13,15,17,23-24,26-27,29,31H,9-11,14,16,18-22H2,1-5H3/t24-,26-,27+,29-,31+,33+,34-/m1/s1
InChIKey GYUGTSINMCTVDX-XAVDHBRASA-N
Mol Weight 488.8 g/mol
Molecular Formula C34H48O2
Exact Mass 488.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AkZ1wdTvPqr
Name 3.beta.-(benzoyloxy)-5.beta.-cholesta-7,14-diene
CAS Registry Number 113349-57-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H48O2
InChI InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-13,15,17,23-24,26-27,29,31H,9-11,14,16,18-22H2,1-5H3/t24-,26-,27+,29-,31+,33+,34-/m1/s1
InChIKey GYUGTSINMCTVDX-XAVDHBRASA-N
Molecular Weight 488.756 g/mol
SMILES C1=2C=3[C@]([C@]4(CC[C@](OC(=O)c5ccccc5)(C[C@]4(CC3)[H])[H])C)([H])CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])C
SPLASH splash10-0pb9-0955000000-80abdfc647e67a8deb26
Source of Spectrum J-53-1718-3
Synonyms (3beta,5beta)-cholesta-7,14-dien-3-yl benzoate benzoic acid[(3S,5R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ester benzoic acid[(3S,5R,9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,5R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]benzoate [(3S,5R,9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]benzoate benzoic acid [(3S,5R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5R,9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate [(3S,5R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Wiley ID 1397015