![Acetic acid, 17-(1,5-dimethylhexyl)-10,13-dimethyl-3-oxohexadecahydrocyclopenta[a]phenanthren-2-yl ester](/api/spectrum/KD0YgjQOs0p/structure.png?h=300&w=458 "Acetic acid, 17-(1,5-dimethylhexyl)-10,13-dimethyl-3-oxohexadecahydrocyclopenta[a]phenanthren-2-yl ester")
| SpectraBase Compound ID | 6z8JsC3HsuL |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-26(31)27(32-20(4)30)17-29(21,6)25(22)14-15-28(23,24)5/h18-19,21-25,27H,7-17H2,1-6H3 |
| InChIKey | JRLVDQSYDDODPL-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 | KD0YgjQOs0p |
|---|---|
| Name | Acetic acid, 17-(1,5-dimethylhexyl)-10,13-dimethyl-3-oxohexadecahydrocyclopenta[a]phenanthren-2-yl ester |
| Alternate Name(s) | 3-Oxocholestan-2-yl acetate Acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl] ester [10,13-dimethyl-17-(6-methylheptan-2-yl)-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate [17-(1,5-dimethylhexyl)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl] ethanoate |
| 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)23-12-13-24-22-11-10-21-16-26(31)27(32-20(4)30)17-29(21,6)25(22)14-15-28(23,24)5/h18-19,21-25,27H,7-17H2,1-6H3 |
| InChIKey | JRLVDQSYDDODPL-UHFFFAOYSA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | C1(=O)C(CC2(C3CCC4(C(CCC4C3CCC2C1)C(CCCC(C)C)C)C)C)OC(=O)C |
| SPLASH | splash10-053u-8952100000-b72b7e1e4ee008f4077c |
| Wiley ID | 1475123 |