| SpectraBase Spectrum ID |
Dl4qleLj0e0 |
| Name |
Cholest-2-ene-2-carbothioic acid, 3-hydroxy-, O-ethyl ester, (5.alpha.)- |
| Alternate Name(s) |
o-Ethyl 3-hydroxycholest-2-ene-2-carbothioate |
| CAS Registry Number |
55283-37-9 |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O2S |
| InChI |
InChI=1S/C30H50O2S/c1-7-32-28(33)23-18-30(6)21(17-27(23)31)11-12-22-25-14-13-24(20(4)10-8-9-19(2)3)29(25,5)16-15-26(22)30/h19-22,24-26,31H,7-18H2,1-6H3/t20-,21+,22+,24-,25+,26+,29-,30+/m1/s1 |
| InChIKey |
XAZBZXLKEAZXPL-XXVVGUNISA-N |
| Molecular Weight |
474.788 g/mol |
| SMILES |
OC=1C[C@]2([C@@](C)([C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])[H])(CC2)[H])[H])CC1C(OCC)=S)[H] |
| SPLASH |
splash10-0331-9742300000-f89f54170dcbacfc3773 |
| Source of Spectrum |
SD-1981-0-0 |
| Wiley ID |
62017 |
