Description
Robtein is a natural chalcone found in the seeds of Cassia occidentalis.
Synonyms
2',3,4,4',5-Pentahydroxychalcone
IUPAC Name
(E)-1-(2,4-dihydroxyphenyl)-3-(3,4,5-trihydroxyphenyl)prop-2-en-1-one
Molecular Formula
C15H12O6
Canonical SMILES
C1=CC(=C(C=C1O)O)C(=O)C=CC2=CC(=C(C(=C2)O)O)O
InChI
InChI=1S/C15H12O6/c16-9-2-3-10(12(18)7-9)11(17)4-1-8-5-13(19)15(21)14(20)6-8/h1-7,16,18-21H/b4-1+
InChIKey
NLAXFZHJXUCLDR-DAFODLJHSA-N
Boiling Point
658.1±55.0°C (Predicted)
Density
1.584±0.06 g/cm3(Predicted)