| SpectraBase Compound ID | DCGdoTDQgRM |
|---|---|
| InChI | InChI=1S/C27H42O/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/h9,18-19,21-25,28H,7,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | RASFGSQLWMYIAA-DPAQBDIFSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C27H42O |
| Exact Mass | 382.323566 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AWYoDEPpTI5 |
|---|---|
| Name | Cholest-5-en-22-yn-3-ol, (3.beta.)- |
| Alternate Name(s) | (3beta)-cholest-5-en-22-yn-3-ol Cholest-5-en-22-yn-3.beta.-ol |
| CAS Registry Number | 112468-52-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O |
| InChI | InChI=1S/C27H42O/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/h9,18-19,21-25,28H,7,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | RASFGSQLWMYIAA-DPAQBDIFSA-N |
| Molecular Weight | 382.632 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C#CCC(C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-001i-0029000000-b6b79601b166eb1fe32b |
| Source of Spectrum | F-44-1147-8 |
| Wiley ID | 1360905 |