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Details

Stereochemistry EPIMERIC
Molecular Formula C32H48F5O6PS
Molecular Weight 686.751
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, 3-(dihydrogen phosphate), (7?,17?)-

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)CC4=CC(OP(O)(O)=O)=CC=C34

InChI

InChIKey=KIJABPTUMKYYPJ-SLYAMZPESA-N
InChI=1S/C32H48F5O6PS/c1-30-17-15-26-25-12-11-24(43-44(39,40)41)21-23(25)20-22(29(26)27(30)13-14-28(30)38)10-7-5-3-2-4-6-8-18-45(42)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38H,2-10,13-20H2,1H3,(H2,39,40,41)/t22-,26-,27+,28+,29-,30+,45?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
[(7R,8R,9S,13S,14S,17S)-17-Hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
Preferred Name English
Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, 3-(dihydrogen phosphate), (7?,17?)-
Common Name English
Code System Code Type Description
FDA UNII
C9T72XQG8Y
Created by admin on Wed Apr 02 19:09:09 GMT 2025 , Edited by admin on Wed Apr 02 19:09:09 GMT 2025
PRIMARY
PUBCHEM
156388733
Created by admin on Wed Apr 02 19:09:09 GMT 2025 , Edited by admin on Wed Apr 02 19:09:09 GMT 2025
PRIMARY
CAS
2389169-08-6
Created by admin on Wed Apr 02 19:09:09 GMT 2025 , Edited by admin on Wed Apr 02 19:09:09 GMT 2025
PRIMARY