U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H45F5O2S
Molecular Weight 588.756
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]estra-1,3,5(10),6-tetraene-3,17-diol, (17?)-

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCCCSCCCC(F)(F)C(F)(F)F)=CC4=CC(O)=CC=C34

InChI

InChIKey=WLTPQVGIMZCYJQ-QBHLCAJUSA-N
InChI=1S/C32H45F5O2S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-40-19-9-16-31(33,34)32(35,36)37/h11-12,20-21,26-29,38-39H,2-10,13-19H2,1H3/t26-,27+,28+,29-,30+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]estra-1,3,5(10),6-tetraene-3,17-diol, (17?)-
Systematic Name English
(17?)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]estra-1,3,5(10),6-tetraene-3,17-diol
Preferred Name English
(8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Systematic Name English
Estra-1,3,5(10),6-tetraene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]-, (17?)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71315419
Created by admin on Wed Apr 02 17:31:15 GMT 2025 , Edited by admin on Wed Apr 02 17:31:15 GMT 2025
PRIMARY
CAS
2170200-16-3
Created by admin on Wed Apr 02 17:31:15 GMT 2025 , Edited by admin on Wed Apr 02 17:31:15 GMT 2025
PRIMARY
FDA UNII
674735V5D9
Created by admin on Wed Apr 02 17:31:15 GMT 2025 , Edited by admin on Wed Apr 02 17:31:15 GMT 2025
PRIMARY