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Cholesta-3,5-dien-3-yl acetate
SpectraBase Compound ID 4JfIAibOuqJ
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/h10,18-20,24-27H,7-9,11-17H2,1-6H3
InChIKey DGCXQKBLGRZRTK-UHFFFAOYSA-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 8SaEjfgHiPg
Name Cholesta-3,5-dien-3-yl acetate
CAS Registry Number 2309-32-2
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/h10,18-20,24-27H,7-9,11-17H2,1-6H3
InChIKey DGCXQKBLGRZRTK-UHFFFAOYSA-N
Molecular Weight 426.685 g/mol
SMILES CC12C3C(C4C(C)(C(C(CCCC(C)C)C)CC4)CC3)CC=C1C=C(CC2)OC(C)=O
SPLASH splash10-003r-2109400000-d62f102c52961de369f5
Source of Spectrum SD-1981-0-0
Synonyms 3-Acetoxycholesta-3,5-diene Cholest-3,5-diene-3.beta.-ol acetate Acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 1380130