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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O5S
Molecular Weight 376.467
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYNYL ESTRADIOL 17-SULFATE

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CC[C@@]2(OS(O)(=O)=O)C#C

InChI

InChIKey=JHKCCDZKVDAGJH-SLHNCBLASA-N
InChI=1S/C20H24O5S/c1-3-20(25-26(22,23)24)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ETHINYLESTRADIOL-17-SULFATE
Preferred Name English
ETHYNYL ESTRADIOL 17-SULFATE
Common Name English
19-NORPREGNA-1,3,5(10)-TRIEN-20-YNE-3,17-DIOL, 17-(HYDROGEN SULFATE), (17.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
75803-36-0
Created by admin on Wed Apr 02 07:01:04 GMT 2025 , Edited by admin on Wed Apr 02 07:01:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID20873218
Created by admin on Wed Apr 02 07:01:05 GMT 2025 , Edited by admin on Wed Apr 02 07:01:05 GMT 2025
PRIMARY
FDA UNII
SIU5G557TZ
Created by admin on Wed Apr 02 07:01:04 GMT 2025 , Edited by admin on Wed Apr 02 07:01:04 GMT 2025
PRIMARY
PUBCHEM
67091
Created by admin on Wed Apr 02 07:01:04 GMT 2025 , Edited by admin on Wed Apr 02 07:01:04 GMT 2025
PRIMARY