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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22O2
Molecular Weight 294.3882
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,7-DEHYDROETHYNYLESTRADIOL

SMILES

C#C[C@@]1(CC[C@@]2([H])[C@]3([H])C=Cc4cc(ccc4[C@@]3([H])CC[C@@]21C)O)O

InChI

InChIKey=CLXHHBFTRYNQBO-SLHNCBLASA-N
InChI=1S/C20H22O2/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/h1,4-7,12,16-18,21-22H,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H22O2
Molecular Weight 294.3882
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 14:56:05 UTC 2021
Edited
by admin
on Sat Jun 26 14:56:05 UTC 2021
Record UNII
W6EZ3B8WFC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,7-DEHYDROETHYNYLESTRADIOL
Common Name English
ETHINYLESTRADIOL SPECIFIED IMPURITY I [EP]
Common Name English
ETHINYLESTRADIOL IMPURITY I [EP]
Common Name English
6,7-DEHYDRO ETHYNYLESTRADIOL
Common Name English
6,7-DEHYDRO ETHYNYL ESTRADIOL
Common Name English
19-NOR-17.ALPHA.-PREGNA-1,3,5(10),6-TETRAEN-20-YNE-3,17-DIOL
Common Name English
19-NORPREGNA-1,3,5(10),6-TETRAEN-20-YNE-3,17-DIOL, (17.ALPHA.)-
Common Name English
.DELTA.6-ETHINYL ESTRADIOL
Common Name English
Code System Code Type Description
PUBCHEM
11208630
Created by admin on Sat Jun 26 14:56:05 UTC 2021 , Edited by admin on Sat Jun 26 14:56:05 UTC 2021
PRIMARY
FDA UNII
W6EZ3B8WFC
Created by admin on Sat Jun 26 14:56:05 UTC 2021 , Edited by admin on Sat Jun 26 14:56:05 UTC 2021
PRIMARY
CAS
67703-68-8
Created by admin on Sat Jun 26 14:56:05 UTC 2021 , Edited by admin on Sat Jun 26 14:56:05 UTC 2021
PRIMARY
EPA CompTox
67703-68-8
Created by admin on Sat Jun 26 14:56:05 UTC 2021 , Edited by admin on Sat Jun 26 14:56:05 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.4
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP