| SpectraBase Spectrum ID |
4SAoJV7gGdT |
| Name |
3.alpha.,12.alpha.-di-(trifluoroacetoxy)-cholanoate |
| CAS Registry Number |
17364-73-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H40F6O6 |
| InChI |
InChI=1S/C29H40F6O6/c1-15(5-8-22(36)39-4)18-6-7-19-23-20(10-12-27(18,19)3)26(2)11-9-17(40-24(37)28(30,31)32)13-16(26)14-21(23)41-25(38)29(33,34)35/h15-21,23H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,21-,23+,26+,27-/m1/s1 |
| InChIKey |
FUFPTKTVCOLVDZ-ZWHRYOBBSA-N |
| Molecular Weight |
598.623 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3([C@](OC(C(F)(F)F)=O)(C[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(C(F)(F)F)=O)(C4)[H])C)[H])[H])[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C |
| SPLASH |
splash10-014i-1639000000-34b51d735cd531f1a33d |
| Source of Spectrum |
MG-16-254-5 |
| Synonyms |
5.alpha.-Cholan-24-oicacid, 3.alpha.,7.alpha.-dihydroxy-, methyl ester, bis(trifluoroacetate)
(3alpha,5alpha,7alpha)-24-methoxy-24-oxo-3-[(trifluoroacetyl)oxy]cholan-7-yl trifluoroacetate
3.alpha.,7.alpha.-di-(trifluoroacetoxy)-cholanoate
Acetic acid, trifluoro-, diester with methyl 3.alpha.,7.alpha.-dihydroxy-5.alpha.-cholan-24-oate
Methyl 3.alpha.,7.alpha.-bis(trifluoroacetoxy)-5.alpha.-cholanate |
| Wiley ID |
1409944 |
