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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20O3
Molecular Weight 284.3496
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16-KETOESTRONE

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CC(=O)C2=O

InChI

InChIKey=ANPHVANSJXDRTP-BSXFFOKHSA-N
InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H20O3
Molecular Weight 284.3496
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Characterization of a rat NADPH-dependent aldo-keto reductase (AKR1B13) induced by oxidative stress.
2009-03-16
Characterization of an oligomeric carbonyl reductase of dog liver: its identity with peroxisomal tetrameric carbonyl reductase.
2007-09
Quantitative structure-activity relationship of various endogenous estrogen metabolites for human estrogen receptor alpha and beta subtypes: Insights into the structural determinants favoring a differential subtype binding.
2006-09
Enzymatic properties of a member (AKR1C20) of the aldo-keto reductase family.
2006-03
Major differences exist in the function and tissue-specific expression of human aflatoxin B1 aldehyde reductase and the principal human aldo-keto reductase AKR1 family members.
1999-10-15
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:35:46 GMT 2025
Edited
by admin
on Mon Mar 31 21:35:46 GMT 2025
Record UNII
113V416QTU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-60462
Preferred Name English
16-KETOESTRONE
Common Name English
16-OXOESTRONE
Common Name English
3-HYDROXY-1,3,5(10)-ESTRATRIENE-16,17-DIONE
Systematic Name English
3-HYDROXYESTRA-1,3,5(10)-TRIENE-16,17-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
246876
Created by admin on Mon Mar 31 21:35:46 GMT 2025 , Edited by admin on Mon Mar 31 21:35:46 GMT 2025
PRIMARY
NSC
60462
Created by admin on Mon Mar 31 21:35:46 GMT 2025 , Edited by admin on Mon Mar 31 21:35:46 GMT 2025
PRIMARY
CAS
1228-73-5
Created by admin on Mon Mar 31 21:35:46 GMT 2025 , Edited by admin on Mon Mar 31 21:35:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID701261036
Created by admin on Mon Mar 31 21:35:46 GMT 2025 , Edited by admin on Mon Mar 31 21:35:46 GMT 2025
PRIMARY
WIKIPEDIA
16-Ketoestrone
Created by admin on Mon Mar 31 21:35:46 GMT 2025 , Edited by admin on Mon Mar 31 21:35:46 GMT 2025
PRIMARY
FDA UNII
113V416QTU
Created by admin on Mon Mar 31 21:35:46 GMT 2025 , Edited by admin on Mon Mar 31 21:35:46 GMT 2025
PRIMARY