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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24O3
Molecular Weight 288.3814
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.BETA.-HYDROXYESTRADIOL

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@H]2O

InChI

InChIKey=IGPOPFXCSGWCLM-FRMKIJSPSA-N
InChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15-,16-,17+,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H24O3
Molecular Weight 288.3814
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:00:21 GMT 2025
Edited
by admin
on Mon Mar 31 22:00:21 GMT 2025
Record UNII
3ZJH9S3FG1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11.BETA.-HYDROXYESTRADIOL
Common Name English
E-2560
Preferred Name English
ESTRA-1,3,5(10)-TRIENE-3,11,17-TRIOL, (11.BETA.,17.BETA.)-
Systematic Name English
ESTRA-1,3,5(10)-TRIENE-3,11.BETA.,17.BETA.-TRIOL
Systematic Name English
1,3,5(10)-ESTRATRIEN-3,11ALPHA,17BETA-TRIOL
Systematic Name English
NSC-19616
Code English
U-6814
Code English
Code System Code Type Description
CAS
5444-22-4
Created by admin on Mon Mar 31 22:00:21 GMT 2025 , Edited by admin on Mon Mar 31 22:00:21 GMT 2025
PRIMARY
NSC
19616
Created by admin on Mon Mar 31 22:00:21 GMT 2025 , Edited by admin on Mon Mar 31 22:00:21 GMT 2025
PRIMARY
FDA UNII
3ZJH9S3FG1
Created by admin on Mon Mar 31 22:00:21 GMT 2025 , Edited by admin on Mon Mar 31 22:00:21 GMT 2025
PRIMARY
PUBCHEM
227673
Created by admin on Mon Mar 31 22:00:21 GMT 2025 , Edited by admin on Mon Mar 31 22:00:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID20280988
Created by admin on Mon Mar 31 22:00:21 GMT 2025 , Edited by admin on Mon Mar 31 22:00:21 GMT 2025
PRIMARY