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Details

Stereochemistry RACEMIC
Molecular Formula C16H16O5
Molecular Weight 288.2952
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Columbianetin acetate, (±)-

SMILES

CC(=O)OC(C)(C)C1CC2=C3OC(=O)C=CC3=CC=C2O1

InChI

InChIKey=IQTTZQQJJBEAIM-UHFFFAOYSA-N
InChI=1S/C16H16O5/c1-9(17)21-16(2,3)13-8-11-12(19-13)6-4-10-5-7-14(18)20-15(10)11/h4-7,13H,8H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(±)-Columbianetin acetate
Preferred Name English
Columbianetin acetate, (±)-
Common Name English
5-Benzofuranacrylic acid, 2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-, ?-lactone, acetate
Systematic Name English
8-[1-(Acetyloxy)-1-methylethyl]-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-2-one
Systematic Name English
2H-Furo[2,3-h]-1-benzopyran-2-one, 8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-
Systematic Name English
Code System Code Type Description
PUBCHEM
5316020
Created by admin on Wed Apr 02 17:39:50 GMT 2025 , Edited by admin on Wed Apr 02 17:39:50 GMT 2025
PRIMARY
CAS
64551-50-4
Created by admin on Wed Apr 02 17:39:50 GMT 2025 , Edited by admin on Wed Apr 02 17:39:50 GMT 2025
PRIMARY
FDA UNII
569DT6JSZ6
Created by admin on Wed Apr 02 17:39:50 GMT 2025 , Edited by admin on Wed Apr 02 17:39:50 GMT 2025
PRIMARY
NIH
NCATS
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