| SpectraBase Compound ID | HNdvOskgxYc |
|---|---|
| InChI | InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | XIIAYQZJNBULGD-XWLABEFZSA-N |
| Mol Weight | 372.7 g/mol |
| Molecular Formula | C27H48 |
| Exact Mass | 372.375602 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JD5Ct3chKbU |
|---|---|
| Name | Cholestane |
| Alternate Name(s) | (5alpha)-cholestane (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| CAS Registry Number | 55123-81-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48 |
| InChI | InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | XIIAYQZJNBULGD-XWLABEFZSA-N |
| Molecular Weight | 372.681 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-014i-0293000000-ba9debea2117c88ccc77 |
| Source of Spectrum | WX-1981-6-0 |
| Wiley ID | 1355946 |