| SpectraBase Compound ID | Dt17Hwwnl20 |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-19(2)9-7-10-20(3)23-12-13-24-22-14-18-29(31)26(32-21(4)30)11-8-16-28(29,6)25(22)15-17-27(23,24)5/h19-20,22-26,31H,7-18H2,1-6H3 |
| InChIKey | SXKZQQLEAKYPEY-UHFFFAOYSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H50O3 |
| Exact Mass | 446.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FnjhlaKD60x |
|---|---|
| Name | Cholestane-4,5-diol, 4-acetate, (4.beta.,5.alpha.)- |
| CAS Registry Number | 5789-00-4 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-19(2)9-7-10-20(3)23-12-13-24-22-14-18-29(31)26(32-21(4)30)11-8-16-28(29,6)25(22)15-17-27(23,24)5/h19-20,22-26,31H,7-18H2,1-6H3 |
| InChIKey | SXKZQQLEAKYPEY-UHFFFAOYSA-N |
| Molecular Weight | 446.716 g/mol |
| SMILES | OC12C(C)(C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CC2)CCCC1OC(C)=O |
| SPLASH | splash10-05nu-9727100000-c1f8d74721cdb5924700 |
| Source of Spectrum | OS-6-214-0 |
| Synonyms | 5-Hydroxycholestan-4-yl acetate 5.alpha.-Cholestane-4.beta.,5-diol, 4-acetate Cholestan-4.beta.,5.alpha.-diol-4.beta.-acetate Acetic acid [5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-yl] ester [5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-yl] acetate [17-(1,5-dimethylhexyl)-5-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-5-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-yl] ethanoate |
| Wiley ID | 1386807 |