| SpectraBase Spectrum ID |
2oqoW9kXhlw |
| Name |
Cholesterol TFA |
| CAS Registry Number |
2665-02-3 |
| Classification |
Pharmaceutical drug, excipient |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
482.337165176 u |
| Formula |
C29H45F3O2 |
| InChI |
InChI=1S/C29H45F3O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(34-26(33)29(30,31)32)13-15-27(20,4)25(22)14-16-28(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19?,21-,22-,23+,24-,25?,27-,28+/m0/s1 |
| InChIKey |
CHGXNBNSBAPZDU-ANIMHNBDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
482.672 g/mol |
| Nominal Mass |
482 u |
| Quality |
912 |
| Retention Index |
3626 |
| SMILES |
[C@@]12([C@]3([C@@]([C@](CC3)(C(CCCC(C)C)C)[H])(CCC1[C@@]1(C(=CC2)C[C@](CC1)(OC(C(F)(F)F)=O)[H])C)C)[H])[H] |
| SPLASH |
splash10-014i-4936000000-d45e6978b0590acbc045 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,3aS,3bS,7S,9aR,11aR)-9a,11a-dimethyl-1-((2S)-6-methylheptan-2-yl)-2,3,3a,3b,4,6,7,8,9,\r9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005263 |
