4-[(3,4-dimethoxyphenyl)methyl]-5-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxan-3-one

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-5-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxan-3-one Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-5-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydropyran-3-one CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methyl]-3-oxanone IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxan-3-one Traditional Name: 5-vanillyl-4-veratryl-tetrahydropyran-3-one Formula: C22H26O6 MolecularWeight: 386.43824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C(COCC2=O)CC3=CC(=C(C=C3)O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C(COCC2=O)CC3=CC(=C(C=C3)O)OC)OC

InChI

InChI=1S/C22H26O6/c1-25-20-7-5-15(11-22(20)27-3)9-17-16(12-28-13-19(17)24)8-14-4-6-18(23)21(10-14)26-2/h4-7,10-11,16-17,23H,8-9,12-13H2,1-3H3