[2-acetyloxy-4-[6-[(2,2-dimethyl-6-oxidanylidene-cyclohexyl)methyl]-7-methoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[6-[(2,2-dimethyl-6-oxidanylidene-cyclohexyl)methyl]-7-methoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[6-[(2,2-dimethyl-6-oxo-cyclohexyl)methyl]-5-hydroxy-7-methoxy-4-oxo-chromen-2-yl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[6-[(2,2-dimethyl-6-oxocyclohexyl)methyl]-5-hydroxy-7-methoxy-4-oxo-1-benzopyran-2-yl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[6-[(2,2-dimethyl-6-oxocyclohexyl)methyl]-5-hydroxy-7-methoxy-4-oxochromen-2-yl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[5-hydroxy-4-keto-6-[(6-keto-2,2-dimethyl-cyclohexyl)methyl]-7-methoxy-chromen-2-yl]phenyl] ester Formula: C29H30O9 MolecularWeight: 522.5431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)CC4C(=O)CCCC4(C)C)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)CC4C(=O)CCCC4(C)C)O)OC(=O)C

InChI

InChI=1S/C29H30O9/c1-15(30)36-22-9-8-17(11-25(22)37-16(2)31)23-13-21(33)27-26(38-23)14-24(35-5)18(28(27)34)12-19-20(32)7-6-10-29(19,3)4/h8-9,11,13-14,19,34H,6-7,10,12H2,1-5H3