1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan
Description
1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan is a Neolignan from stem bark of Ocotea veraguensis.
Synonyms
6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,5-dihydro-5-methoxy-3-methyl-5-(2-propenyl)-, [2S-(2α,3β,5β)]-; (2S,3S,5R)-5-Allyl-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3,5-dihydro-1-benzofuran-6(2H)-one; 6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,5-dihydro-5-methoxy-3-methyl-5-(2-propen-1-yl)-, (2S,3S,5R)-
IUPAC Name
(2S,3S,5R)-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
Molecular Formula
C20H20O5
Canonical SMILES
CC1C(OC2=CC(=O)C(C=C12)(CC=C)OC)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H20O5/c1-4-7-20(22-3)10-14-12(2)19(25-16(14)9-18(20)21)13-5-6-15-17(8-13)24-11-23-15/h4-6,8-10,12,19H,1,7,11H2,2-3H3/t12-,19-,20+/m0/s1
InChIKey
HCKMSYACKQLOPY-OCCQLPPTSA-N
Boiling Point
490.8±45.0°C at 760 mmHg
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate