![Acetic acid, 17-(1,5-dimethylhexyl)-5-hydroxy-10,13-dimethyl-6-oxohexadecahydrocyclopenta[a]phenanthren-3-yl ester](/api/spectrum/F1JreazmOYJ/structure.png?h=300&w=458 "Acetic acid, 17-(1,5-dimethylhexyl)-5-hydroxy-10,13-dimethyl-6-oxohexadecahydrocyclopenta[a]phenanthren-3-yl ester")
| SpectraBase Compound ID | HCQBMRmULFV |
|---|---|
| InChI | InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(31)29(32)17-21(33-20(4)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-25,32H,7-17H2,1-6H3 |
| InChIKey | QEDZDAWIPDLZAN-UHFFFAOYSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C29H48O4 |
| Exact Mass | 460.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F1JreazmOYJ |
|---|---|
| Name | Acetic acid, 17-(1,5-dimethylhexyl)-5-hydroxy-10,13-dimethyl-6-oxohexadecahydrocyclopenta[a]phenanthren-3-yl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O4 |
| InChI | InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(31)29(32)17-21(33-20(4)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-25,32H,7-17H2,1-6H3 |
| InChIKey | QEDZDAWIPDLZAN-UHFFFAOYSA-N |
| Molecular Weight | 460.699 g/mol |
| SMILES | OC12C(C3C(C4C(C(C(C)CCCC(C)C)CC4)(CC3)C)CC1=O)(CCC(C2)OC(=O)C)C |
| SPLASH | splash10-05mo-9724100000-1ee8373ced460b2714bf |
| Synonyms | 5-Hydroxy-6-oxocholestan-3-yl acetate Cholestan-3,5-diol-6-one, 3-acetate Acetic acid [5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-5-hydroxy-10,13-dimethyl-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-5-oxidanyl-6-oxidanylidene-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1474789 |