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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H49F5O3S
Molecular Weight 632.808
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Hydroxy-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-trien-17-yl acetate, (7alpha,17beta)-

SMILES

[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@]3([H])C4=CC=C(O)C=C4C[C@@H](CCCCCCCCCSCCCC(F)(F)C(F)(F)F)[C@@]23[H]

InChI

InChIKey=NNWTWRVZCKFESO-YVAHLQCFSA-N
InChI=1S/C34H49F5O3S/c1-23(40)42-30-15-14-29-31-24(21-25-22-26(41)12-13-27(25)28(31)16-18-32(29,30)2)11-8-6-4-3-5-7-9-19-43-20-10-17-33(35,36)34(37,38)39/h12-13,22,24,28-31,41H,3-11,14-21H2,1-2H3/t24-,28-,29+,30+,31-,32+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Hydroxy-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-trien-17-yl acetate, (7alpha,17beta)-
Systematic Name English
(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol 17-acetate
Systematic Name English
(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate
Systematic Name English
Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]-, 17-acetate, (7α,17β)-
Systematic Name English
(1S,3aS,3bR,4R,9bS,11aS)-7-hydroxy-11a-methyl-4-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
Systematic Name English
(7alpha,17beta)-3-Hydroxy-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-trien-17-yl acetate
Systematic Name English
Code System Code Type Description
FDA UNII
TJR5GY6ZWN
Created by admin on Sat Dec 16 19:49:11 GMT 2023 , Edited by admin on Sat Dec 16 19:49:11 GMT 2023
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PUBCHEM
71463851
Created by admin on Sat Dec 16 19:49:11 GMT 2023 , Edited by admin on Sat Dec 16 19:49:11 GMT 2023
PRIMARY
CAS
875573-69-6
Created by admin on Sat Dec 16 19:49:11 GMT 2023 , Edited by admin on Sat Dec 16 19:49:11 GMT 2023
PRIMARY