| SpectraBase Compound ID | AVjxXUyi4wV |
|---|---|
| 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 |
| InChIKey | PESKGJQREUXSRR-UHFFFAOYSA-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 | 1LV3rmBABXd |
|---|---|
| Name | Cholestan-3-one |
| Alternate Name(s) | 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 17-(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 Cholestan-3-one, (5.alpha.)- 5.alpha.-Cholestane-3-one 5.alpha.-Cholestanone Cholestan-3-one, (5.beta.)- Cholestanone Cholestanone, (5.alpha.)- Coprostan-3-one Coprostanone Koprostan-3-one EINECS 210-003-0 NSC 119031 NSC 11920 |
| CAS Registry Number | 15600-08-5 |
| Copyright | Copyright © 2020-2024 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 |
| InChIKey | PESKGJQREUXSRR-UHFFFAOYSA-N |
| Molecular Weight | 386.664 g/mol |
| SMILES | CC12C(C3C(C4(C)C(CC(=O)CC4)CC3)CC1)CCC2C(CCCC(C)C)C |
| SPLASH | splash10-0019-9565000000-9622b34e396ec3d1b89e |
| Source of Spectrum | PG-1982-291-0 |
| Wiley ID | 1363134 |