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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

[H][C@@]12CC[C@@](OS(O)(=O)=O)(C#C)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(O)C=C4

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

Molecular Formula C20H24O5S
Molecular Weight 376.467
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:00:37 UTC 2023
Edited
by admin
on Sat Dec 16 16:00:37 UTC 2023
Record UNII
SIU5G557TZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
ETHINYLESTRADIOL-17-SULFATE
Common Name English
Code System Code Type Description
CAS
75803-36-0
Created by admin on Sat Dec 16 16:00:37 UTC 2023 , Edited by admin on Sat Dec 16 16:00:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID20873218
Created by admin on Sat Dec 16 16:00:37 UTC 2023 , Edited by admin on Sat Dec 16 16:00:37 UTC 2023
PRIMARY
FDA UNII
SIU5G557TZ
Created by admin on Sat Dec 16 16:00:37 UTC 2023 , Edited by admin on Sat Dec 16 16:00:37 UTC 2023
PRIMARY
PUBCHEM
67091
Created by admin on Sat Dec 16 16:00:37 UTC 2023 , Edited by admin on Sat Dec 16 16:00:37 UTC 2023
PRIMARY
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