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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O3
Molecular Weight 312.4035
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.BETA.-HYDROXY-ETHINYLESTRADIOL

SMILES

C#C[C@@]1(CC[C@@]2([H])[C@]3([H])C[C@]([H])(c4cc(ccc4[C@@]3([H])CC[C@@]21C)O)O)O

InChI

InChIKey=XFBUZQAUNLRYCT-ZPNQOMQUSA-N
InChI=1S/C20H24O3/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/h1,4-5,10,14-15,17-18,21-23H,6-9,11H2,2H3/t14-,15-,17+,18-,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H24O3
Molecular Weight 312.4035
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:15:42 UTC 2021
Edited
by admin
on Sat Jun 26 00:15:42 UTC 2021
Record UNII
G1W6D0O0CW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.BETA.-HYDROXY-ETHINYLESTRADIOL
Common Name English
ETHINYLESTRADIOL SPECIFIED IMPURITY F [EP]
Common Name English
ETHINYLESTRADIOL IMPURITY F [EP]
Common Name English
19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YNE-3,6.BETA.,17-TRIOL
Common Name English
19-NORPREGNA-1,3,5(10)-TRIEN-20-YNE-3,6,17-TRIOL, (6.BETA.,17.ALPHA.)-
Common Name English
6.BETA.-HYDROXY-ETHINYL ESTRADIOL
Common Name English
Code System Code Type Description
CAS
56324-28-8
Created by admin on Sat Jun 26 00:15:43 UTC 2021 , Edited by admin on Sat Jun 26 00:15:43 UTC 2021
PRIMARY
PUBCHEM
11771367
Created by admin on Sat Jun 26 00:15:43 UTC 2021 , Edited by admin on Sat Jun 26 00:15:43 UTC 2021
PRIMARY
EPA CompTox
56324-28-8
Created by admin on Sat Jun 26 00:15:43 UTC 2021 , Edited by admin on Sat Jun 26 00:15:43 UTC 2021
PRIMARY
FDA UNII
G1W6D0O0CW
Created by admin on Sat Jun 26 00:15:43 UTC 2021 , Edited by admin on Sat Jun 26 00:15:43 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP