SpectraBase Compound ID | 8Yu7T9kjm5p |
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InChI | InChI=1S/C29H48O2/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/h10,19-20,23-27H,7-9,11-18H2,1-6H3 |
InChIKey | XUGISPSHIFXEHZ-UHFFFAOYSA-N |
Mol Weight | 428.7 g/mol |
Molecular Formula | C29H48O2 |
Exact Mass | 428.365431 g/mol |
SpectraBase Spectrum ID | 2GGbpFKcNqF |
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Name | Cholest-5-en-3-ol (3.beta.)-, acetate |
CAS Registry Number | 604-35-3 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C29H48O2 |
InChI | InChI=1S/C29H48O2/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/h10,19-20,23-27H,7-9,11-18H2,1-6H3 |
InChIKey | XUGISPSHIFXEHZ-UHFFFAOYSA-N |
Molecular Weight | 428.701 g/mol |
SMILES | CC12C3C(C4C(C)(C(C(CCCC(C)C)C)CC4)CC3)CC=C1CC(OC(C)=O)CC2 |
SPLASH | splash10-066r-0097000000-e7a5be997c216d54a6a5 |
Source of Spectrum | Y1-36-345-3 |
Synonyms | Cholest-5-en-3-yl acetate (-)Cholesteryl acetate 3.beta.-Acetoxycholest-5-ene 3a-Cholesterol acetate 5-Cholesten-3.beta.-ol acetate Cholest-5-en-3-ol (3beta)-, acetate Cholest-5-en-3.beta.-ol acetate Cholest-5-en-3.beta.-yl acetate Cholestan-5-en-3-ol acetate Cholesterin acetate Cholesterol, acetate Acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate AI3-24120 CCRIS 5350 EINECS 210-066-4 NSC 8799 |
Wiley ID | 1527039 |