| SpectraBase Spectrum ID |
Gep1WeQSKKN |
| Name |
Cholest-5-en-22-yne-3,20,25-triol, (3.beta.)- |
| Alternate Name(s) |
(3beta)-cholest-5-en-22-yne-3,20,25-triol
Cholest-5-en-22-yn-3.beta.,20(R),25-triol |
| CAS Registry Number |
115941-28-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O3 |
| InChI |
InChI=1S/C27H42O3/c1-24(2,29)13-6-14-27(5,30)23-10-9-21-20-8-7-18-17-19(28)11-15-25(18,3)22(20)12-16-26(21,23)4/h7,19-23,28-30H,8-13,15-17H2,1-5H3/t19-,20-,21-,22-,23-,25-,26-,27-/m0/s1 |
| InChIKey |
SHTNOXSZZINQNB-WASVUAPXSA-N |
| Molecular Weight |
414.630 g/mol |
| SMILES |
O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@](C#CCC(O)(C)C)(O)C)(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH |
splash10-0a4i-0091100000-36df86c9644752fda3ec |
| Source of Spectrum |
F-44-1151-15 |
| Wiley ID |
1375695 |
