| SpectraBase Spectrum ID |
26BukiliNFu |
| Name |
Hexafluoroisopropyl 3.alpha.,6.alpha.-bis(trifluoroacetoxy)-5.beta.-cholan-24-oate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H38F12O6 |
| InChI |
InChI=1S/C31H38F12O6/c1-14(4-7-22(44)49-23(28(32,33)34)29(35,36)37)17-5-6-18-16-13-21(48-25(46)31(41,42)43)20-12-15(47-24(45)30(38,39)40)8-10-27(20,3)19(16)9-11-26(17,18)2/h14-21,23H,4-13H2,1-3H3 |
| InChIKey |
KYEKUHZLTCKTMI-UHFFFAOYSA-N |
| Ionization Type |
EI-B |
| Molecular Weight |
734.620 g/mol |
| SMILES |
C(CC(OC(C(F)(F)F)C(F)(F)F)=O)C(C1CCC2C1(C)CCC1C2CC(C2C1(C)CCC(C2)OC(C(F)(F)F)=O)OC(=O)C(F)(F)F)C |
| SPLASH |
splash10-014i-9622000000-c4367be928a5c3097a87 |
| Source of Spectrum |
SRH-2022-1877-0 |
| Synonyms |
Hexafluoroisopropyl 3,6-bis(o-trifluoroacetyl)hyodeoxycholate |
| Wiley ID |
1824249 |
