| SpectraBase Compound ID | IIHc3Onfadt |
|---|---|
| InChI | InChI=1S/C29H47ClO2/c1-19(2)7-6-8-20(3)25-11-12-26-24-10-9-22-17-23(32-21(4)31)13-16-29(22,18-30)27(24)14-15-28(25,26)5/h9,19-20,23-27H,6-8,10-18H2,1-5H3 |
| InChIKey | LMFAOIJQVCMBMH-UHFFFAOYSA-N |
| Mol Weight | 463.1 g/mol |
| Molecular Formula | C29H47ClO2 |
| Exact Mass | 462.326458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A93O4cEnoOz |
|---|---|
| Name | Cholest-5-en-3.beta.-ol, 19-chloro-, acetate |
| Alternate Name(s) | 19-Chlorocholest-5-en-3-yl acetate Acetic acid [10-(chloromethyl)-13-methyl-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-(chloromethyl)-13-methyl-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 [10-(chloromethyl)-17-(1,5-dimethylhexyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10-(chloromethyl)-13-methyl-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 |
| CAS Registry Number | 21072-67-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47ClO2 |
| InChI | InChI=1S/C29H47ClO2/c1-19(2)7-6-8-20(3)25-11-12-26-24-10-9-22-17-23(32-21(4)31)13-16-29(22,18-30)27(24)14-15-28(25,26)5/h9,19-20,23-27H,6-8,10-18H2,1-5H3 |
| InChIKey | LMFAOIJQVCMBMH-UHFFFAOYSA-N |
| Molecular Weight | 463.146 g/mol |
| SMILES | C(Cl)C12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CC=C2CC(CC1)OC(C)=O |
| SPLASH | splash10-0udi-0089700000-9bfe9a4b1fd5dc552a9e |
| Source of Spectrum | T-68-5497-0 |
| Wiley ID | 1391171 |