Methylophiopogonanone A

Catalog	BBC74805928
CAS	74805-92-8
Structure
Synonyms	(3R)-3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
IUPAC Name	(3R)-3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
Molecular Weight	342.35
Molecular Formula	C19H18O6
Canonical SMILES	CC1=C(C(=C2C(=C1O)C(=O)[C@@H](CO2)CC3=CC4=C(C=C3)OCO4)C)O
InChI	InChI=1S/C19H18O6/c1-9-16(20)10(2)19-15(17(9)21)18(22)12(7-23-19)5-11-3-4-13-14(6-11)25-8-24-13/h3-4,6,12,20-21H,5,7-8H2,1-2H3/t12-/m1/s1
InChI Key	BXTNNJIQILYHJB-GFCCVEGCSA-N
Boiling Point	580.1±50.0 °C
Purity	98%
Density	1.41 g/ml
Appearance	Powder
pKa	8.24±0.40