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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24O3
Molecular Weight 288.3814
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.BETA.-HYDROXYESTRADIOL

SMILES

C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(O)=CC=C34)[C@@H]1CC[C@@H]2O

InChI

InChIKey=QZZRQURPSRWTLG-UXCAXZQLSA-N
InChI=1S/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H24O3
Molecular Weight 288.3814
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:35:24 GMT 2025
Edited
by admin
on Wed Apr 02 11:35:24 GMT 2025
Record UNII
5GTC4LE496
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
E-2550
Preferred Name English
6.BETA.-HYDROXYESTRADIOL
Common Name English
ESTRADIOL 6.BETA.-HYDROXY IMPURITY
Common Name English
6.BETA.HYDROXY ESTRADIOL
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,6,17-TRIOL, (6.BETA.,17.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
5GTC4LE496
Created by admin on Wed Apr 02 11:35:24 GMT 2025 , Edited by admin on Wed Apr 02 11:35:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID70331474
Created by admin on Wed Apr 02 11:35:24 GMT 2025 , Edited by admin on Wed Apr 02 11:35:24 GMT 2025
PRIMARY
CAS
3583-03-7
Created by admin on Wed Apr 02 11:35:24 GMT 2025 , Edited by admin on Wed Apr 02 11:35:24 GMT 2025
PRIMARY
PUBCHEM
440168
Created by admin on Wed Apr 02 11:35:24 GMT 2025 , Edited by admin on Wed Apr 02 11:35:24 GMT 2025
PRIMARY PUBCHEM
Related Record Type Details
PARENT -> IMPURITY