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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H14O4
Molecular Weight 246.2586
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Columbianetin

SMILES

CC(C)(O)[C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3

InChI

InChIKey=YRAQEMCYCSSHJG-NSHDSACASA-N
InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H14O4
Molecular Weight 246.2586
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:53:14 GMT 2025
Edited
by admin
on Mon Mar 31 19:53:14 GMT 2025
Record UNII
2AUQ7TG6K2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Columbianetin
Common Name English
(+)-Columbianetin
Preferred Name English
2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-, (8S)-
Systematic Name English
Columbianetin, (+)-
Common Name English
(8S)-8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one
Systematic Name English
Code System Code Type Description
CAS
3804-70-4
Created by admin on Mon Mar 31 19:53:14 GMT 2025 , Edited by admin on Mon Mar 31 19:53:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID401316498
Created by admin on Mon Mar 31 19:53:14 GMT 2025 , Edited by admin on Mon Mar 31 19:53:14 GMT 2025
PRIMARY
PUBCHEM
92201
Created by admin on Mon Mar 31 19:53:14 GMT 2025 , Edited by admin on Mon Mar 31 19:53:14 GMT 2025
PRIMARY
FDA UNII
2AUQ7TG6K2
Created by admin on Mon Mar 31 19:53:14 GMT 2025 , Edited by admin on Mon Mar 31 19:53:14 GMT 2025
PRIMARY
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