| SpectraBase Spectrum ID |
B9NZvRH9x7m |
| Name |
CEDMS ester of cholanic acid |
| Alternate Name(s) |
(2-cyanoethyl)(dimethyl)silyl (5beta)-cholan-24-oate
(cyanoethyl)dimethylsilyl 5.beta.-cholan-24-oate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H49NO2Si |
| InChI |
InChI=1S/C29H49NO2Si/c1-21(10-15-27(31)32-33(4,5)20-8-19-30)24-13-14-25-23-12-11-22-9-6-7-17-28(22,2)26(23)16-18-29(24,25)3/h21-26H,6-18,20H2,1-5H3/t21-,22+,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey |
OBWOVLCLYPULBY-GDAWKKFSSA-N |
| Molecular Weight |
471.801 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCC(O[Si](CCC#N)(C)C)=O)(C)[H])[H])[H])C |
| SPLASH |
splash10-00or-9780800000-0af7d9846934110bff1e |
| Source of Spectrum |
KO-19-510-3 |
| Wiley ID |
1393148 |
