| SpectraBase Compound ID | 9RGjzsNhvZY |
|---|---|
| InChI | InChI=1S/C26H42O3/c1-6-7-16(2)21-10-11-22-20-9-8-18-14-19(29-17(3)27)12-13-25(18,4)23(20)15-24(28)26(21,22)5/h16,18-23H,6-15H2,1-5H3 |
| InChIKey | JHKANLBQVJGHJN-UHFFFAOYSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C26H42O3 |
| Exact Mass | 402.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lpd4QhLiJr7 |
|---|---|
| Name | Cholan-12-one, 3-(acetyloxy)-, (3.alpha.,5.beta.)- |
| CAS Registry Number | 42921-46-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O3 |
| InChI | InChI=1S/C26H42O3/c1-6-7-16(2)21-10-11-22-20-9-8-18-14-19(29-17(3)27)12-13-25(18,4)23(20)15-24(28)26(21,22)5/h16,18-23H,6-15H2,1-5H3 |
| InChIKey | JHKANLBQVJGHJN-UHFFFAOYSA-N |
| Molecular Weight | 402.619 g/mol |
| SMILES | CC12C(C3C(CC2=O)C2(C)C(CC3)CC(CC2)OC(C)=O)CCC1C(CCC)C |
| SPLASH | splash10-0ue9-8952300000-2bd83d3f29b3bf4adbed |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 12-Oxocholan-3-yl acetate (10,13-dimethyl-12-oxidanylidene-17-pentan-2-yl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) ethanoate (10,13-dimethyl-12-oxo-17-pentan-2-yl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) acetate Acetic acid (10,13-dimethyl-12-oxo-17-pentan-2-yl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) ester [10,13-dimethyl-17-(1-methylbutyl)-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate |
| Wiley ID | 57372 |