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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O3
Molecular Weight 286.3655
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16-KETOESTRADIOL

SMILES

[H][C@@]12CC(=O)[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(O)C=C4CC[C@@]23[H]

InChI

InChIKey=KJDGFQJCHFJTRH-YONAWACDSA-N
InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
16-KETOESTRADIOL
Common Name English
J108.088A
Code English
16-OXOESTRADIOL
Common Name English
3,17.BETA.-DIHYDROXYESTRA-1,3,5(10)-TRIEN-16-ONE
Systematic Name English
ESTRA-1,3,5(10)-TRIEN-16-ONE, 3,17-DIHYDROXY-, (17.BETA.)-
Systematic Name English
(17R)-3,17.BETA.-DIHYDROXY-1,3,5(10)-ESTRATRIENE-16-ONE
Systematic Name English
ESTRA-1,3,5(10)-TRIEN-16-ONE, 3,17.BETA.-DIHYDROXY-
Systematic Name English
16-KETO-17.BETA.-ESTRADIOL
Common Name English
NSC-51169
Code English
Code System Code Type Description
WIKIPEDIA
16-Ketoestradiol
Created by admin on Sat Dec 16 08:45:44 GMT 2023 , Edited by admin on Sat Dec 16 08:45:44 GMT 2023
PRIMARY
PUBCHEM
66417
Created by admin on Sat Dec 16 08:45:44 GMT 2023 , Edited by admin on Sat Dec 16 08:45:44 GMT 2023
PRIMARY
NSC
51169
Created by admin on Sat Dec 16 08:45:44 GMT 2023 , Edited by admin on Sat Dec 16 08:45:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID5040386
Created by admin on Sat Dec 16 08:45:44 GMT 2023 , Edited by admin on Sat Dec 16 08:45:44 GMT 2023
PRIMARY
FDA UNII
6CE096RR70
Created by admin on Sat Dec 16 08:45:44 GMT 2023 , Edited by admin on Sat Dec 16 08:45:44 GMT 2023
PRIMARY
CAS
566-75-6
Created by admin on Sat Dec 16 08:45:44 GMT 2023 , Edited by admin on Sat Dec 16 08:45:44 GMT 2023
PRIMARY