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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O2
Molecular Weight 296.4034
Optical Activity ( + )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.BETA.-ETHINYLESTRADIOL

SMILES

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

InChI

InChIKey=BFPYWIDHMRZLRN-SWBPCFCJSA-N
InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H24O2
Molecular Weight 296.4034
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets
PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:03:19 UTC 2023
Edited
by admin
on Sat Dec 16 01:03:19 UTC 2023
Record UNII
II522L1IMZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17.BETA.-ETHINYLESTRADIOL
Common Name English
(+)-17.BETA.-ETHYNYLESTRADIOL
Common Name English
ETHINYLESTRADIOL IMPURITY A [EP IMPURITY]
Common Name English
17.ALPHA.-ESTRADIOL, 17-ETHYNYL
Common Name English
17-EPI-ETHYNYLESTRADIOL
Common Name English
17.BETA.-ETHINYL ESTRADIOL
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00873493
Created by admin on Sat Dec 16 01:03:20 UTC 2023 , Edited by admin on Sat Dec 16 01:03:20 UTC 2023
PRIMARY
PUBCHEM
145760
Created by admin on Sat Dec 16 01:03:20 UTC 2023 , Edited by admin on Sat Dec 16 01:03:20 UTC 2023
PRIMARY
FDA UNII
II522L1IMZ
Created by admin on Sat Dec 16 01:03:20 UTC 2023 , Edited by admin on Sat Dec 16 01:03:20 UTC 2023
PRIMARY
CAS
4717-38-8
Created by admin on Sat Dec 16 01:03:20 UTC 2023 , Edited by admin on Sat Dec 16 01:03:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP