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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22O3
Molecular Weight 310.3876
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16-OXO-ETHINYLESTRADIOL

SMILES

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

InChI

InChIKey=ZJACPGCDLFVQMY-JOMPHRNESA-N
InChI=1S/C20H22O3/c1-3-20(23)18(22)11-17-16-6-4-12-10-13(21)5-7-14(12)15(16)8-9-19(17,20)2/h1,5,7,10,15-17,21,23H,4,6,8-9,11H2,2H3/t15-,16-,17+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H22O3
Molecular Weight 310.3876
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 Fri Jun 25 22:48:24 UTC 2021
Edited
by admin
on Fri Jun 25 22:48:24 UTC 2021
Record UNII
HTC87NA4WY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16-OXO-ETHINYLESTRADIOL
Common Name English
ETHINYLESTRADIOL SPECIFIED IMPURITY H [EP]
Common Name English
19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-16-ONE, 3,17-DIHYDROXY-, (17.ALPHA.)-
Common Name English
ETHINYLESTRADIOL IMPURITY H [EP]
Common Name English
3,17-DIHYDROXY-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-16-ONE
Common Name English
16-OXO-ETHINYL ESTRADIOL
Common Name English
Code System Code Type Description
CAS
1350468-76-6
Created by admin on Fri Jun 25 22:48:24 UTC 2021 , Edited by admin on Fri Jun 25 22:48:24 UTC 2021
PRIMARY
FDA UNII
HTC87NA4WY
Created by admin on Fri Jun 25 22:48:24 UTC 2021 , Edited by admin on Fri Jun 25 22:48:24 UTC 2021
PRIMARY
PUBCHEM
71587986
Created by admin on Fri Jun 25 22:48:24 UTC 2021 , Edited by admin on Fri Jun 25 22:48:24 UTC 2021
PRIMARY
EPA CompTox
1350468-76-6
Created by admin on Fri Jun 25 22:48:24 UTC 2021 , Edited by admin on Fri Jun 25 22:48:24 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP