(3S,3aR)-2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one

Systemtic Name: (3S,3aR)-2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one Openeye Name: (3S,3aR)-3a-allyl-2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one CAS Name: (3S,3aR)-2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydrobenzofuran-6-one IUPAC Name: (3S,3aR)-2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one Traditional Name: (3S,3aR)-3a-allyl-2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one Formula: C21H24O5 MolecularWeight: 356.41226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC(=O)C(=CC12CC=C)OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@@H]1C(OC2=CC(=O)C(=C[C@@]12CC=C)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24O5/c1-6-9-21-12-18(25-5)15(22)11-19(21)26-20(13(21)2)14-7-8-16(23-3)17(10-14)24-4/h6-8,10-13,20H,1,9H2,2-5H3/t13-,20?,21+/m1/s1