| SpectraBase Spectrum ID |
6I3wuL0orhD |
| Name |
Cholest-5-en-19-al, 3.beta.-hydroxy-, cyclic ethylene mercaptal |
| Alternate Name(s) |
(3beta,17beta)-17-[(1R)-1,5-dimethylhexyl]-10-(1,3-dithiolan-2-yl)estr-5-en-3-ol
C19-ethylene thioketal cholesterol |
| CAS Registry Number |
1107-85-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48OS2 |
| InChI |
InChI=1S/C29H48OS2/c1-19(2)6-5-7-20(3)24-10-11-25-23-9-8-21-18-22(30)12-15-29(21,27-31-16-17-32-27)26(23)13-14-28(24,25)4/h8,19-20,22-27,30H,5-7,9-18H2,1-4H3/t20-,22+,23+,24-,25+,26+,28-,29-/m1/s1 |
| InChIKey |
UPDASQZCKHNQGB-WPAZHYIDSA-N |
| Molecular Weight |
476.822 g/mol |
| SMILES |
O[C@]1(CC[C@]2(C(=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])C1)C1SCCS1)[H] |
| SPLASH |
splash10-0f89-0159000000-5e00b3c110f49361b2e9 |
| Source of Spectrum |
T-68-5502-0 |
| Wiley ID |
1394410 |
