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3beta-acetoxycholest-5,22-diene

View entire compound with spectra: 1 MS (GC)

3beta-acetoxycholest-5,22-diene
SpectraBase Compound ID FR0jBgPC9Qh
InChI InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,9-10,19-20,23-27H,8,11-18H2,1-6H3/b9-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey CJUZRVVXJPNXNH-HYOPEJMISA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RdyZ7s44O
Name 3beta-acetoxycholest-5,22-diene
CAS Registry Number 26033-11-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,9-10,19-20,23-27H,8,11-18H2,1-6H3/b9-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey CJUZRVVXJPNXNH-HYOPEJMISA-N
Molecular Weight 426.685 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](\C=C\CC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0imi-0049700000-d0454875bd3b7d2837d4
Source of Spectrum W5-1989-38298-27238
Synonyms (3beta,22E)-cholesta-5,22-dien-3-yl acetate 3.beta.-acetoxycholest-5,22-diene Acetic acid[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 1380149