| SpectraBase Spectrum ID |
6gYPRGPUAAg |
| Name |
Hexafluoroisopropyl 3.beta.-trifluoroacetoxy-5.beta.-cholan-24-oate |
| Alternate Name(s) |
Hexafluoroisopropyl 3.beta.-trifluoroacetyl5.beta.-cholanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H39F9O4 |
| InChI |
InChI=1S/C29H39F9O4/c1-15(4-9-22(39)42-23(27(30,31)32)28(33,34)35)19-7-8-20-18-6-5-16-14-17(41-24(40)29(36,37)38)10-12-25(16,2)21(18)11-13-26(19,20)3/h15-21,23H,4-14H2,1-3H3 |
| InChIKey |
QSMCWSQCJINJEC-UHFFFAOYSA-N |
| Ionization Type |
EI-B |
| Molecular Weight |
622.613 g/mol |
| SMILES |
C1C2C(C(C1)C(CCC(=O)OC(C(F)(F)F)C(F)(F)F)C)(CCC1C2CCC2C1(CCC(C2)OC(=O)C(F)(F)F)C)C |
| SPLASH |
splash10-0aos-9711000000-8cea98acf2842399ccb6 |
| Source of Spectrum |
SRH-2022-1873-0 |
| Wiley ID |
1824245 |
