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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22O2
Molecular Weight 294.3875
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,7-DEHYDROETHYNYLESTRADIOL

SMILES

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

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 294.3875
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 04:58:48 UTC 2023
Edited
by admin
on Sat Dec 16 04:58:48 UTC 2023
Record UNII
W6EZ3B8WFC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,7-DEHYDROETHYNYLESTRADIOL
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
ETHINYLESTRADIOL IMPURITY I [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
11208630
Created by admin on Sat Dec 16 04:58:48 UTC 2023 , Edited by admin on Sat Dec 16 04:58:48 UTC 2023
PRIMARY
FDA UNII
W6EZ3B8WFC
Created by admin on Sat Dec 16 04:58:48 UTC 2023 , Edited by admin on Sat Dec 16 04:58:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID30217987
Created by admin on Sat Dec 16 04:58:48 UTC 2023 , Edited by admin on Sat Dec 16 04:58:48 UTC 2023
PRIMARY
CAS
67703-68-8
Created by admin on Sat Dec 16 04:58:48 UTC 2023 , Edited by admin on Sat Dec 16 04:58:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.4
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP