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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

CC1=C(OC(=O)C2=CC=CC=C2)C=CC3=C1CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]34

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

Molecular Formula C26H30O3
Molecular Weight 390.5146
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:38:25 GMT 2025
Edited
by admin
on Mon Mar 31 21:38:25 GMT 2025
Record UNII
Y5K0W7P26N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRADIOL BENZOATE IMPURITY B [EP IMPURITY]
Preferred Name English
17.BETA.-HYDROXY-4-METHYLESTRA-1,3,5(10)-TRIEN-3-YL BENZOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
76971159
Created by admin on Mon Mar 31 21:38:25 GMT 2025 , Edited by admin on Mon Mar 31 21:38:25 GMT 2025
PRIMARY
FDA UNII
Y5K0W7P26N
Created by admin on Mon Mar 31 21:38:25 GMT 2025 , Edited by admin on Mon Mar 31 21:38:25 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY