| SpectraBase Spectrum ID |
A3D3KCMLdyR |
| Name |
3.alpha.-Trifluoroacetoxy-5.beta.-cholan-24-oyl chloride |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H38ClF3O3 |
| InChI |
InChI=1S/C26H38ClF3O3/c1-15(4-9-22(27)31)19-7-8-20-18-6-5-16-14-17(33-23(32)26(28,29)30)10-12-24(16,2)21(18)11-13-25(19,20)3/h15-21H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20+,21+,24+,25-/m1/s1 |
| InChIKey |
UNQHGRFTVXLYMS-BXVWHTCBSA-N |
| Molecular Weight |
491.035 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(C(F)(F)F)=O)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCC(=O)Cl)(C)[H])[H])[H])C |
| SPLASH |
splash10-00mx-0029200000-7e0fd82c23a29c0b431f |
| Source of Spectrum |
SO-0-1083-3 |
| Synonyms |
(3alpha,5beta)-24-chloro-24-oxocholan-3-yl trifluoroacetate |
| Wiley ID |
873876 |
