| SpectraBase Spectrum ID |
Ea0lyl1lFze |
| Name |
Cholest-5-en-22-yne-3,25-diol, (3.beta.)- |
| Alternate Name(s) |
(3beta)-cholest-5-en-22-yne-3,25-diol
Cholest-5-en-22-yn-3.beta.,25-diol |
| CAS Registry Number |
112468-53-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O2 |
| InChI |
InChI=1S/C27H42O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey |
VWNIKYRNFAKYDY-ZHHJOTBYSA-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(O)(C)C)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH |
splash10-00dl-0079000000-410351adbee8cb8d7029 |
| Source of Spectrum |
F-44-1147-11 |
| Wiley ID |
1368704 |
