| SpectraBase Compound ID | IGXEDWlq2Bt |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3 |
| InChIKey | QGGRDHGCNNAWIE-UHFFFAOYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ChdbzYUQRJS |
|---|---|
| Name | 5.alpha.-Cholestan-6-one, 3.beta.-hydroxy-, acetate |
| CAS Registry Number | 21513-83-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3 |
| InChIKey | QGGRDHGCNNAWIE-UHFFFAOYSA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC1C2CC(=O)C2C1(CCC(C2)OC(=O)C)C)C |
| SPLASH | splash10-001i-7309000000-dd1546ec2a6c27c2cf72 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 6-Oxocholestan-3-yl acetate Cholestan-6-one, 3-(acetyloxy)-, (3.alpha.,5.alpha.)- (3-beta,5-alpha)-3-(acetyloxy)-cholestan-6-one Cholestan-6-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)- 3.alpha.-Acetoxy-5.alpha.-cholestan-6-one 5.alpha.-Cholestan-6-one, 3.alpha.-hydroxy-, acetate Acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxidanylidene-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1386165 |