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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H20O3
Molecular Weight 272.3389
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16-OXAESTRONE

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1COC2=O

InChI

InChIKey=HXULEQSFHCWJAZ-AIANPOQGSA-N
InChI=1S/C17H20O3/c1-17-7-6-13-12-5-3-11(18)8-10(12)2-4-14(13)15(17)9-20-16(17)19/h3,5,8,13-15,18H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H20O3
Molecular Weight 272.3389
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:53:42 GMT 2025
Edited
by admin
on Mon Mar 31 17:53:42 GMT 2025
Record UNII
Z4K0Y84MM5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16-OXAESTRONE
Common Name English
NSC-93236
Preferred Name English
PHENANTHRO(1,2-C)FURAN-1(3H)-ONE, 3A,3B,4,5,9B,10,11,11A-OCTAHYDRO-7-HYDROXY-11A-METHYL-, (3AS,3BR,9BS,11AS)-
Systematic Name English
16-OXAESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
Z4K0Y84MM5
Created by admin on Mon Mar 31 17:53:42 GMT 2025 , Edited by admin on Mon Mar 31 17:53:42 GMT 2025
PRIMARY
NSC
93236
Created by admin on Mon Mar 31 17:53:42 GMT 2025 , Edited by admin on Mon Mar 31 17:53:42 GMT 2025
PRIMARY
PUBCHEM
261260
Created by admin on Mon Mar 31 17:53:42 GMT 2025 , Edited by admin on Mon Mar 31 17:53:42 GMT 2025
PRIMARY
CAS
15370-48-6
Created by admin on Mon Mar 31 17:53:42 GMT 2025 , Edited by admin on Mon Mar 31 17:53:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID20934797
Created by admin on Mon Mar 31 17:53:42 GMT 2025 , Edited by admin on Mon Mar 31 17:53:42 GMT 2025
PRIMARY