| SpectraBase Compound ID | AKx74Sa3Vub |
|---|---|
| InChI | InChI=1S/C29H46O3/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/h17-19,21,23-26H,7-16H2,1-6H3 |
| InChIKey | VICTWULSMNGBHU-UHFFFAOYSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C29H46O3 |
| Exact Mass | 442.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9zGwKnTeLMY |
|---|---|
| Name | 5.alpha.-Cholest-7-en-6-one, 3.beta.-hydroxy-, acetate |
| CAS Registry Number | 988-19-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O3 |
| InChI | InChI=1S/C29H46O3/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/h17-19,21,23-26H,7-16H2,1-6H3 |
| InChIKey | VICTWULSMNGBHU-UHFFFAOYSA-N |
| Molecular Weight | 442.684 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)=CC(C2CC(CC1)OC(C)=O)=O |
| SPLASH | splash10-0007-9734100000-745dad6b6ca0f164d6a0 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Cholest-7-en-6-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)- 6-Oxocholest-7-en-3-yl acetate Acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxidanylidene-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 60220 |