| SpectraBase Spectrum ID |
4fcJWoMUpKP |
| Name |
3.alpha.-Trifluoroacetoxy-5.beta.-cholan-24-oic acid ethylene glycol mono ester |
| Alternate Name(s) |
(3alpha,5beta)-24-(2-hydroxyethoxy)-24-oxocholan-3-yl trifluoroacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H43F3O5 |
| InChI |
InChI=1S/C28H43F3O5/c1-17(4-9-24(33)35-15-14-32)21-7-8-22-20-6-5-18-16-19(36-25(34)28(29,30)31)10-12-26(18,2)23(20)11-13-27(21,22)3/h17-23,32H,4-16H2,1-3H3/t17-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1 |
| InChIKey |
FYWPLXYEZSHHRG-RMXYKXGFSA-N |
| Molecular Weight |
516.642 g/mol |
| SMILES |
OCCOC(CC[C@]([C@@]1([C@@]2([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(C(F)(F)F)=O)(C4)[H])C)[H])[H])(CC1)[H])C)[H])(C)[H])=O |
| SPLASH |
splash10-0gb9-0090600000-8b77540d852b29f44b9c |
| Source of Spectrum |
SO-0-1083-4 |
| Wiley ID |
873875 |
