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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26O3
Molecular Weight 374.4721
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.BETA.-HYDROXYESTRA-1,3,5(10),9(11)-TETRAEN-3-YL BENZOATE

SMILES

C[C@]12CC=C3[C@@H](CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C34)[C@@H]1CC[C@@H]2O

InChI

InChIKey=SNVGCHQTFKPUSL-FVEXOFTDSA-N
InChI=1S/C25H26O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,13,15,21-23,26H,7,9,11-12,14H2,1H3/t21-,22+,23+,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17.BETA.-HYDROXYESTRA-1,3,5(10),9(11)-TETRAEN-3-YL BENZOATE
Systematic Name English
ESTRADIOL BENZOATE IMPURITY F [EP IMPURITY]
Preferred Name English
ESTRA-1,3,5(10),9(11)-TETRAENE-3,17.BETA.-DIOL, 3-BENZOATE
Systematic Name English
Code System Code Type Description
FDA UNII
A3H6UN167V
Created by admin on Mon Mar 31 21:38:27 GMT 2025 , Edited by admin on Mon Mar 31 21:38:27 GMT 2025
PRIMARY
PUBCHEM
71587361
Created by admin on Mon Mar 31 21:38:27 GMT 2025 , Edited by admin on Mon Mar 31 21:38:27 GMT 2025
PRIMARY
CAS
95870-51-2
Created by admin on Mon Mar 31 21:38:27 GMT 2025 , Edited by admin on Mon Mar 31 21:38:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID00241996
Created by admin on Mon Mar 31 21:38:27 GMT 2025 , Edited by admin on Mon Mar 31 21:38:27 GMT 2025
PRIMARY