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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H30O3
Molecular Weight 390.5146
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.BETA.-HYDROXY-4-METHYLESTRA-1,3,5(10)-TRIEN-3-YL BENZOATE

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C(C)=C(OC(=O)C5=CC=CC=C5)C=C4

InChI

InChIKey=UFKJEYURURTJEH-ZZNZVTGDSA-N
InChI=1S/C26H30O3/c1-16-18-8-9-21-20(14-15-26(2)22(21)11-13-24(26)27)19(18)10-12-23(16)29-25(28)17-6-4-3-5-7-17/h3-7,10,12,20-22,24,27H,8-9,11,13-15H2,1-2H3/t20-,21-,22+,24+,26+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17.BETA.-HYDROXY-4-METHYLESTRA-1,3,5(10)-TRIEN-3-YL BENZOATE
Systematic Name English
ESTRADIOL BENZOATE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
76971159
Created by admin on Sat Dec 16 06:50:02 GMT 2023 , Edited by admin on Sat Dec 16 06:50:02 GMT 2023
PRIMARY
FDA UNII
Y5K0W7P26N
Created by admin on Sat Dec 16 06:50:02 GMT 2023 , Edited by admin on Sat Dec 16 06:50:02 GMT 2023
PRIMARY