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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O2
Molecular Weight 270.3661
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3?-hydroxy-estra-4,9,11-trien-17-one

SMILES

C[C@]12C=CC3=C4CC[C@H](O)C=C4CC[C@H]3[C@@H]1CCC2=O

InChI

InChIKey=GRQRGWQUCGCRIF-AWOKKLPBSA-N
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,12,15-16,19H,2-7H2,1H3/t12-,15+,16-,18-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3?-hydroxy-estra-4,9,11-trien-17-one
Preferred Name English
Classification Tree Code System Code
DEA NO. 4000
Created by admin on Wed Apr 02 19:35:19 GMT 2025 , Edited by admin on Wed Apr 02 19:35:19 GMT 2025
Code System Code Type Description
FDA UNII
9JGA9KTL4T
Created by admin on Wed Apr 02 19:35:19 GMT 2025 , Edited by admin on Wed Apr 02 19:35:19 GMT 2025
PRIMARY
PUBCHEM
162477430
Created by admin on Wed Apr 02 19:35:19 GMT 2025 , Edited by admin on Wed Apr 02 19:35:19 GMT 2025
PRIMARY