| SpectraBase Compound ID | MEP1x6Wtoq |
|---|---|
| InChI | InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,26-,27-/m1/s1 |
| InChIKey | WSSZZUWWCXSGKJ-HVPCJGPWSA-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 | 5KVID9wLHP7 |
|---|---|
| Name | Cholestan-6-one, (5.beta.)- |
| Alternate Name(s) | (5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 5.beta.-cholestan-6-one |
| CAS Registry Number | 13713-79-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O |
| InChI | InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,26-,27-/m1/s1 |
| InChIKey | WSSZZUWWCXSGKJ-HVPCJGPWSA-N |
| Molecular Weight | 386.664 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC(=O)[C@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0089-8946000000-b79c95bc0def4fd89b84 |
| Source of Spectrum | C-84-1433-9 |
| Wiley ID | 1363160 |