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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24O2
Molecular Weight 272.382
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.BETA.-ESTRADIOL

SMILES

C[C@@]12C[C@@H](O)C[C@H]1[C@@H]3CCC4=C(C=CC(O)=C4)[C@H]3CC2

InChI

InChIKey=DVMAUGGKVWJBDV-IREHDKGXSA-N
InChI=1S/C18H24O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,13,15-17,19-20H,2,4,6-7,9-10H2,1H3/t13-,15+,16+,17-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H24O2
Molecular Weight 272.382
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 21:33:09 GMT 2025
Edited
by admin
on Mon Mar 31 21:33:09 GMT 2025
Record UNII
06J092O3KB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16.BETA.-ESTRADIOL
Common Name English
NSC-46476
Preferred Name English
3,16.BETA.-DIHYDROXYESTRA-1,3,5(10)-TRIENE
Systematic Name English
ESTRA-1,3,5(10)-TRIENE-3,16-DIOL, (16.BETA.)-
Systematic Name English
ESTRA-1,3,5(10)-TRIENE-3,16.BETA.-DIOL
Systematic Name English
Code System Code Type Description
NSC
46476
Created by admin on Mon Mar 31 21:33:09 GMT 2025 , Edited by admin on Mon Mar 31 21:33:09 GMT 2025
PRIMARY
CAS
1225-58-7
Created by admin on Mon Mar 31 21:33:09 GMT 2025 , Edited by admin on Mon Mar 31 21:33:09 GMT 2025
PRIMARY
FDA UNII
06J092O3KB
Created by admin on Mon Mar 31 21:33:09 GMT 2025 , Edited by admin on Mon Mar 31 21:33:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID601296531
Created by admin on Mon Mar 31 21:33:09 GMT 2025 , Edited by admin on Mon Mar 31 21:33:09 GMT 2025
PRIMARY
PUBCHEM
240337
Created by admin on Mon Mar 31 21:33:09 GMT 2025 , Edited by admin on Mon Mar 31 21:33:09 GMT 2025
PRIMARY