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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22O5
Molecular Weight 342.3857
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Chicanine, (+)-

SMILES

COC1=CC(=CC=C1O)[C@@H]2O[C@H]([C@H](C)[C@@H]2C)C3=CC=C4OCOC4=C3

InChI

InChIKey=JPDORDSJPIKURD-OCBHBYCGSA-N
InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12+,19+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H22O5
Molecular Weight 342.3857
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 Wed Apr 02 17:33:22 GMT 2025
Edited
by admin
on Wed Apr 02 17:33:22 GMT 2025
Record UNII
AK6WE58CVU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Chicanine, (+)-
Common Name English
(+)-Chicanine
Preferred Name English
Phenol, 4-[(2R,3S,4R,5R)-5-(1,3-benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxy-
Systematic Name English
(2R,3S,4R,5R)-(+)-Chicanine
Common Name English
Chicanine
Common Name English
Chicanin
Common Name English
4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol
Systematic Name English
Code System Code Type Description
FDA UNII
AK6WE58CVU
Created by admin on Wed Apr 02 17:33:22 GMT 2025 , Edited by admin on Wed Apr 02 17:33:22 GMT 2025
PRIMARY
CAS
78919-28-5
Created by admin on Wed Apr 02 17:33:22 GMT 2025 , Edited by admin on Wed Apr 02 17:33:22 GMT 2025
PRIMARY
PUBCHEM
11078392
Created by admin on Wed Apr 02 17:33:22 GMT 2025 , Edited by admin on Wed Apr 02 17:33:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID001120689
Created by admin on Wed Apr 02 17:33:22 GMT 2025 , Edited by admin on Wed Apr 02 17:33:22 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER