| SpectraBase Spectrum ID |
1Tq371Rfnly |
| Name |
[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-6-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,7,8,9,11,12,14,15,16,17-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(4-7-22(40)43-23(27(30,31)32)28(33,34)35)17-5-6-18-16-13-21(39)20-12-15(42-24(41)29(36,37)38)8-10-26(20,3)19(16)9-11-25(17,18)2/h14-20,23H,4-13H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,25-,26-/m1/s1 |
| InChIKey |
WMWYTXWGDNAKOI-IRAATLAUSA-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])(C(C[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)[H])[H])=O)[H])C |
| SPLASH |
splash10-00dr-0001294000-163078f5d00437ff7d56 |
| Source of Spectrum |
RCM-11-1287-Table 2, cpd 6 |
| Wiley ID |
1837426 |
![[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-6-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate](/api/spectrum/1Tq371Rfnly/structure.png?h=300&w=458 "[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-6-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate")
