| SpectraBase Compound ID | 1vD5zAKKkCz |
|---|---|
| InChI | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | PESKGJQREUXSRR-ZTPZMMAUSA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C27H46O |
| Exact Mass | 386.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1RjLAeRZbNl |
|---|---|
| Name | Cholestan-3-one |
| CAS Registry Number | 15600-08-5 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O |
| InChI | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | PESKGJQREUXSRR-ZTPZMMAUSA-N |
| Molecular Weight | 386.664 g/mol |
| SMILES | C1(CC[C@]2(C(C1)CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)=O |
| SPLASH | splash10-001r-1495000000-86903f56f416108ff0fa |
| Source of Spectrum | SO-1979-32-2 |
| Synonyms | (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 3-Oxocholestane Cholestanone Coprostanone |
| Wiley ID | 1537277 |