| SpectraBase Compound ID | 8D0vM8NhBPP |
|---|---|
| InChI | InChI=1S/C29H46O3/c1-19(18-32-21(3)30)7-6-8-20(2)25-11-12-26-24-10-9-22-17-23(31)13-15-28(22,4)27(24)14-16-29(25,26)5/h17,19-20,24-27H,6-16,18H2,1-5H3/t19?,20-,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | XJXOBWMWDHLLGM-IBYAGONKSA-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 | 1Rfjk3wK1jh |
|---|---|
| Name | 26-Acetoxy-cholest-4-en-3-one |
| CAS Registry Number | 53481-63-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O3 |
| InChI | InChI=1S/C29H46O3/c1-19(18-32-21(3)30)7-6-8-20(2)25-11-12-26-24-10-9-22-17-23(31)13-15-28(22,4)27(24)14-16-29(25,26)5/h17,19-20,24-27H,6-16,18H2,1-5H3/t19?,20-,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | XJXOBWMWDHLLGM-IBYAGONKSA-N |
| Molecular Weight | 442.684 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](CCCC(COC(=O)C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0006-0010900000-a3512ac6673b5dd39101 |
| Source of Spectrum | F5-7-917-17 |
| Synonyms | Acetic acid [(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] ester [(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate [(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] acetate [(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ethanoate |
| Wiley ID | 1696373 |