| SpectraBase Compound ID | 9WBtXJi1aEe |
|---|---|
| InChI | InChI=1S/C29H42O3/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/h9-10,13,15,17,19-20,24-27H,6-8,11-12,14,16,18H2,1-5H3/t19-,20-,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | ZKRQKIOWWPNSGD-IKBFPWGHSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C29H42O3 |
| Exact Mass | 438.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G3b3SoBWqy9 |
|---|---|
| Name | (25R)-26-(Hydroxy)cholest-1,4,6-trien-3-one 26-acetate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H42O3 |
| InChI | InChI=1S/C29H42O3/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/h9-10,13,15,17,19-20,24-27H,6-8,11-12,14,16,18H2,1-5H3/t19-,20-,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | ZKRQKIOWWPNSGD-IKBFPWGHSA-N |
| Molecular Weight | 438.652 g/mol |
| SMILES | [C@@]12(C(C=C[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)([C@@](CCC[C@](COC(=O)C)(C)[H])(C)[H])[H])[H])[H])=CC(C=C2)=O)C |
| SPLASH | splash10-000i-0030900000-92ff66f53c1980d58b4b |
| Source of Spectrum | F-53-8134-11 |
| Synonyms | (25R)-3-oxocholesta-1,4,6-trien-27-yl acetate Acetic acid [(2R,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] ester [(2R,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate [(2R,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] acetate [(2R,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ethanoate |
| Wiley ID | 802461 |