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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28O3
Molecular Weight 376.488
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOESTRADIOL 3-BENZOATE

SMILES

C[C@]12CC[C@H]3[C@H](CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C34)[C@@H]1CC[C@@H]2O

InChI

InChIKey=UYIFTLBWAOGQBI-FCRIMTMASA-N
InChI=1S/C25H28O3/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/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21+,22+,23+,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
8-ISOESTRADIOL, 3-BENZOATE
Preferred Name English
ISOESTRADIOL 3-BENZOATE
MI  
Common Name English
(8.ALPHA.,17.BETA.)-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 3-BENZOATE
Systematic Name English
ISOESTRADIOL 3-BENZOATE [MI]
Common Name English
8.ALPHA.-ESTRADIOL, 3-BENZOATE
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 3-BENZOATE, (8.ALPHA.,17.BETA.)-
Systematic Name English
Code System Code Type Description
MERCK INDEX
m6482
Created by admin on Mon Mar 31 22:59:25 GMT 2025 , Edited by admin on Mon Mar 31 22:59:25 GMT 2025
PRIMARY Merck Index
CAS
6011-90-1
Created by admin on Mon Mar 31 22:59:25 GMT 2025 , Edited by admin on Mon Mar 31 22:59:25 GMT 2025
PRIMARY
PUBCHEM
12313393
Created by admin on Mon Mar 31 22:59:25 GMT 2025 , Edited by admin on Mon Mar 31 22:59:25 GMT 2025
PRIMARY
FDA UNII
UBD6G1V336
Created by admin on Mon Mar 31 22:59:25 GMT 2025 , Edited by admin on Mon Mar 31 22:59:25 GMT 2025
PRIMARY