| SpectraBase Spectrum ID |
Azyq4W3iKLf |
| Name |
[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-12-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H37F9O5 |
| InChI |
InChI=1S/C29H37F9O5/c1-14(4-9-22(40)43-23(27(30,31)32)28(33,34)35)18-7-8-19-17-6-5-15-12-16(42-24(41)29(36,37)38)10-11-25(15,2)20(17)13-21(39)26(18,19)3/h14-20,23H,4-13H2,1-3H3/t14-,15-,16-,17+,18-,19+,20+,25+,26-/m1/s1 |
| InChIKey |
VVHWPQZATYFFCS-RBAIKAGWSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002_(SICI)1097-0231(199708)11_12_1286 |
| Molecular Weight |
636.596 g/mol |
| SMILES |
C1C[C@]2([C@@](C[C@@]1(OC(=O)C(F)(F)F)[H])(CC[C@@]1([C@@]2(CC([C@]2([C@]1(CC[C@@]2([C@](C)(CCC(=O)OC(C(F)(F)F)C(F)(F)F)[H])[H])[H])C)=O)[H])[H])[H])C |
| SPLASH |
splash10-000i-0001019000-b13fe0c3f7abfe4a578f |
| Source of Spectrum |
RCM-11-1287-Table 2, cpd 4 |
| Wiley ID |
1837424 |
![[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-12-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate](/api/spectrum/Azyq4W3iKLf/structure.png?h=300&w=458 "[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-12-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate")
