[7-oxidanyl-2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-8-[3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-5-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [7-oxidanyl-2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-8-[3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-5-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxychroman-2-yl)benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [7-hydroxy-5-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-1-benzo[7]annulenyl]-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [5-galloyloxy-7-hydroxy-2-[3,4,5-trihydroxy-6-keto-8-(3,5,7-trihydroxychroman-2-yl)benzocyclohepten-1-yl]chroman-3-yl] ester Formula: C43H32O20 MolecularWeight: 868.70218

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C5C(CC6=C(C=C(C=C6O5)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O

Isomeric SMILES

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C5C(CC6=C(C=C(C=C6O5)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O

InChI

InChI=1S/C43H32O20/c44-17-7-23(46)21-12-30(53)40(60-31(21)8-17)14-1-19-20(11-29(52)39(57)35(19)38(56)28(51)2-14)41-34(63-43(59)16-5-26(49)37(55)27(50)6-16)13-22-32(61-41)9-18(45)10-33(22)62-42(58)15-3-24(47)36(54)25(48)4-15/h1-11,30,34,40-41,44-50,52-55,57H,12-13H2,(H,51,56)