U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26O2
Molecular Weight 298.4192
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.ALPHA.-VINYLESTRADIOL

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=XHJMDTAEPZXEKG-SLHNCBLASA-N
InChI=1S/C20H26O2/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/h3,5,7,12,16-18,21-22H,1,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17.ALPHA.-VINYLESTRADIOL
Common Name English
ETHENYLESTRADIOL
Common Name English
17-VINYLESTRADIOL
Common Name English
ESTRADIOL, 17-VINYL-
Common Name English
19-NORPREGNA-1,3,5(10),20-TETRAENE-3,17-DIOL, (17.ALPHA.)-
Systematic Name English
19-NOR-17.ALPHA.-PREGNA-1,3,5(10),20-TETRAENE-3,17-DIOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID401016553
Created by admin on Sat Dec 16 12:01:44 GMT 2023 , Edited by admin on Sat Dec 16 12:01:44 GMT 2023
PRIMARY
CAS
7678-95-7
Created by admin on Sat Dec 16 12:01:44 GMT 2023 , Edited by admin on Sat Dec 16 12:01:44 GMT 2023
PRIMARY
PUBCHEM
10732851
Created by admin on Sat Dec 16 12:01:44 GMT 2023 , Edited by admin on Sat Dec 16 12:01:44 GMT 2023
PRIMARY
FDA UNII
MJD6I21YQX
Created by admin on Sat Dec 16 12:01:44 GMT 2023 , Edited by admin on Sat Dec 16 12:01:44 GMT 2023
PRIMARY