| SpectraBase Compound ID | FjjQuKtArR2 |
|---|---|
| InChI | InChI=1S/C27H42O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,7,9-13,15-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | FLXZNMYQYIFXFN-APGJSSKUSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C27H42O2 |
| Exact Mass | 398.318481 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CCYbAFf39Hv |
|---|---|
| Name | Cholest-5-en-22-yne-3,20-diol, (3.beta.)- |
| Alternate Name(s) | (3beta)-cholest-5-en-22-yne-3,20-diol Cholest-5-en-22-yn-3.beta.,20(R)-diol |
| CAS Registry Number | 114247-64-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O2 |
| InChI | InChI=1S/C27H42O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,7,9-13,15-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | FLXZNMYQYIFXFN-APGJSSKUSA-N |
| Molecular Weight | 398.631 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@](C#CCC(C)C)(O)C)(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-0ab9-0091000000-bbaf9cc0ab71e0866557 |
| Source of Spectrum | F-44-1151-15 |
| Wiley ID | 1368705 |