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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22O3
Molecular Weight 310.3869
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-OXO-ETHINYLESTRADIOL

SMILES

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

InChI

InChIKey=QHTAUDUBRNENFJ-VCNAKFCDSA-N
InChI=1S/C20H22O3/c1-3-20(23)9-7-17-15-11-18(22)16-10-12(21)4-5-13(16)14(15)6-8-19(17,20)2/h1,4-5,10,14-15,17,21,23H,6-9,11H2,2H3/t14-,15-,17+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H22O3
Molecular Weight 310.3869
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 04:58:46 GMT 2023
Edited
by admin
on Sat Dec 16 04:58:46 GMT 2023
Record UNII
9M79F2839C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-OXO-ETHINYLESTRADIOL
Common Name English
ETHINYLESTRADIOL IMPURITY G [EP IMPURITY]
Common Name English
19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-6-ONE, 3,17-DIHYDROXY-, (17.ALPHA.)-
Common Name English
6-KETO ETHINYL ESTRADIOL
Common Name English
6-OXO-ETHINYL ESTRADIOL
Common Name English
3,17.BETA.-DIHYDROXY-17.ALPHA.-ETHYNYLESTRA-1,3,5(10)-TRIEN-6-ONE
Common Name English
ETHINYL ESTRADIOL RELATED COMPOUND A [USP-RS]
Common Name English
3,17-DIHYDROXY-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-6-ONE
Common Name English
Code System Code Type Description
CAS
38002-18-5
Created by admin on Sat Dec 16 04:58:46 GMT 2023 , Edited by admin on Sat Dec 16 04:58:46 GMT 2023
PRIMARY
FDA UNII
9M79F2839C
Created by admin on Sat Dec 16 04:58:46 GMT 2023 , Edited by admin on Sat Dec 16 04:58:46 GMT 2023
PRIMARY
RS_ITEM_NUM
1260012
Created by admin on Sat Dec 16 04:58:47 GMT 2023 , Edited by admin on Sat Dec 16 04:58:47 GMT 2023
PRIMARY
PUBCHEM
11209099
Created by admin on Sat Dec 16 04:58:47 GMT 2023 , Edited by admin on Sat Dec 16 04:58:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID50191417
Created by admin on Sat Dec 16 04:58:46 GMT 2023 , Edited by admin on Sat Dec 16 04:58:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP