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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O5S
Molecular Weight 376.4684
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYNYLESTRADIOL 3-SULFATE

SMILES

C#C[C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(ccc4[C@@]3([H])CC[C@@]21C)OS(=O)(=O)O)O

InChI

InChIKey=WLGIWVFFGMPRLM-SLHNCBLASA-N
InChI=1S/C20H24O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)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 376.4684
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 Jun 26 00:48:55 UTC 2021
Edited
by admin
on Sat Jun 26 00:48:55 UTC 2021
Record UNII
67P0FM71OZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYNYLESTRADIOL 3-SULFATE
Common Name English
ETHYNYLESTRADIOL SULFATE
Common Name English
19-NORPREGNA-1,3,5(10)-TRIEN-20-YNE-3,17-DIOL, 3-(HYDROGEN SULFATE), (17.ALPHA.)-
Systematic Name English
17.ALPHA.-ETHYNYLESTRADIOL 3-SULFATE
Common Name English
Code System Code Type Description
FDA UNII
67P0FM71OZ
Created by admin on Sat Jun 26 00:48:55 UTC 2021 , Edited by admin on Sat Jun 26 00:48:55 UTC 2021
PRIMARY
PUBCHEM
68575
Created by admin on Sat Jun 26 00:48:55 UTC 2021 , Edited by admin on Sat Jun 26 00:48:55 UTC 2021
PRIMARY
CAS
24560-70-1
Created by admin on Sat Jun 26 00:48:55 UTC 2021 , Edited by admin on Sat Jun 26 00:48:55 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA