| SpectraBase Spectrum ID |
fEeBzPj5sk |
| Name |
25-Methylene-24-oxo-25-(trifluoromethyl)-5.beta.-cholane-3.alpha.,6.alpha.-diyl diacetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H45F3O5 |
| InChI |
InChI=1S/C31H45F3O5/c1-17(7-10-27(37)18(2)31(32,33)34)23-8-9-24-22-16-28(39-20(4)36)26-15-21(38-19(3)35)11-13-30(26,6)25(22)12-14-29(23,24)5/h17,21-26,28H,2,7-16H2,1,3-6H3/t17-,21-,22+,23?,24+,25+,26+,28+,29-,30-/m1/s1 |
| InChIKey |
YKAYQBZGYJEQHI-CHECIUPLSA-N |
| Molecular Weight |
554.691 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)[C@@](CCC(C(C(F)(F)F)=C)=O)(C)[H])[H])([H])C[C@@]([C@@]2(C[C@](OC(=O)C)(CC1)[H])[H])(OC(=O)C)[H])[H])C |
| SPLASH |
splash10-000i-0000900000-e1f43e9bf57c84719f9d |
| Source of Spectrum |
J-59-2641-4 |
| Synonyms |
(3alpha,6alpha)-3-(acetyloxy)-26,26,26-trifluoro-24-oxocholest-25(27)-en-6-yl acetate
Acetic acid (3R,5R,6S,8S,9S,10R,13R,14S)-3-acetoxy-10,13-dimethyl-17-((R)-1-methyl-4-oxo-5-trifluoromethyl-hex-5-enyl)-hexadecahydro-cyclopenta[a]phenanthren-6-yl ester |
| Wiley ID |
1406208 |
