| SpectraBase Compound ID | CKdrhHRQ3Em |
|---|---|
| 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/h6,8,18-25,28H,7,9-17H2,1-5H3/b8-6+/t19-,20?,21-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | BWGQUGBECNWWDB-JDJXZXHZSA-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 | Lj6HMCZTTts |
|---|---|
| Name | Cholest-22-en-3-ol, (3.alpha.,5.alpha.,22E)- |
| Alternate Name(s) | (3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,8R,9S,10S,13R,14S,17R)-17-[(E,1R)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| CAS Registry Number | 115305-06-1 |
| 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/h6,8,18-25,28H,7,9-17H2,1-5H3/b8-6+/t19-,20?,21-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | BWGQUGBECNWWDB-JDJXZXHZSA-N |
| Molecular Weight | 386.664 g/mol |
| SMILES | O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4([C@@](\C=C\CC(C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0pbi-0095000000-e1aecec67038dccfa639 |
| Source of Spectrum | F-44-1361-4 |
| Wiley ID | 1363198 |