| SpectraBase Spectrum ID |
J6wuAzaYXoO |
| Name |
[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,6,8,9,11,12,14,15,16,17-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(4-7-21(40)43-23(27(30,31)32)28(33,34)35)17-5-6-18-22-19(9-11-26(17,18)3)25(2)10-8-16(12-15(25)13-20(22)39)42-24(41)29(36,37)38/h14-19,22-23H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,22+,25+,26-/m1/s1 |
| InChIKey |
KJZGZNWCLOLTNK-LJTJLCBXSA-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)[H])[H])=O)[H])C |
| SPLASH |
splash10-00n0-0003926000-b787065b48a6b21500fc |
| Source of Spectrum |
RCM-11-1287-Table 2, cpd 1 |
| Wiley ID |
1837421 |
![[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate](/api/spectrum/J6wuAzaYXoO/structure.png?h=300&w=458 "[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate")
