| SpectraBase Spectrum ID |
B7fyn956EuG |
| Name |
5.alpha.-Cholan-24-oic acid, 3.alpha.-hydroxy-, methyl ester, trifluoroacetate |
| CAS Registry Number |
17364-74-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H41F3O4 |
| InChI |
InChI=1S/C27H41F3O4/c1-16(5-10-23(31)33-4)20-8-9-21-19-7-6-17-15-18(34-24(32)27(28,29)30)11-13-25(17,2)22(19)12-14-26(20,21)3/h16-22H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,25+,26-/m1/s1 |
| InChIKey |
ZAEQEUACUMHGKM-UGLOQJELSA-N |
| Molecular Weight |
486.616 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)OC)(C)[H])[H])[H])C |
| SPLASH |
splash10-0avi-0955000000-46b3ae1596742dc59ae5 |
| Source of Spectrum |
MG-16-251-4 |
| Synonyms |
(3alpha,5alpha)-24-methoxy-24-oxocholan-3-yl trifluoroacetate
3.beta.-trifluoroacetoxycholanoate
Acetic acid, trifluoro-, ester with methyl 3.alpha.-hydroxy-5.alpha.-cholan-24-oate
Methyl 3.beta.-trifluoroacetoxy-5.alpha.-cholanate |
| Wiley ID |
1396495 |
