[(2R,3R)-5,7-bis(oxidanyl)-2-[3,4,6-tris(oxidanyl)-5-oxidanylidene-1-[(2R,3R)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]-6,7,8,9-tetrahydrobenzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(2R,3R)-5,7-bis(oxidanyl)-2-[3,4,6-tris(oxidanyl)-5-oxidanylidene-1-[(2R,3R)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]-6,7,8,9-tetrahydrobenzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]-6,7,8,9-tetrahydrobenzo[7]annulen-8-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-6,7,8,9-tetrahydrobenzo[7]annulen-8-yl]-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6,7,8,9-tetrahydrobenzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-keto-1-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]-6,7,8,9-tetrahydrobenzocyclohepten-8-yl]chroman-3-yl] ester Formula: C36H32O16 MolecularWeight: 720.62968

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=C(C(=O)C1O)C(=C(C=C2C3C(CC4=C(C=C(C=C4O3)O)O)O)O)O)C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O

Isomeric SMILES

C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C3CC(CC(C4=O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O

InChI

InChI=1S/C36H32O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h3-9,12,24,26,29,34-35,37-46,48H,1-2,10-11H2/t12?,24?,26-,29-,34-,35-/m1/s1