| SpectraBase Spectrum ID |
3fx1MTbpIEK |
| Name |
4-Difluoromethylestra-1,3,5(10)-triene-17-one-3-(2,2,2-trichloroethyl) sulfate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23Cl3F2O5S |
| InChI |
InChI=1S/C21H23Cl3F2O5S/c1-20-9-8-12-11-4-6-16(31-32(28,29)30-10-21(22,23)24)18(19(25)26)14(11)3-2-13(12)15(20)5-7-17(20)27/h4,6,12-13,15,19H,2-3,5,7-10H2,1H3/t12-,13-,15+,20+/m1/s1 |
| InChIKey |
BGRMUBOPEIOCBG-XBEYBXDOSA-N |
| Literature Reference DOI |
10.1002/cbic.200900143 |
| Molecular Weight |
531.826 g/mol |
| SMILES |
c1cc2c(c(C(F)F)c1OS(OCC(Cl)(Cl)Cl)(=O)=O)CC[C@@]1([C@@]2(CC[C@@]2(C(CC[C@@]12[H])=O)C)[H])[H] |
| SPLASH |
splash10-001r-2041890000-45ddc0042dfbebffd558 |
| Source of Spectrum |
CBC-10-1457/SM4-6 |
| Synonyms |
(8R,9S,13S,14S)-4-(difluoromethyl)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl (2,2,2-trichloroethyl) sulfate |
| Wiley ID |
1786630 |
