[(1R,3R)-5-methoxycarbonyl-5-oxidanyl-2,3-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(1R,3R)-5-methoxycarbonyl-5-oxidanyl-2,3-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(1R,3R)-5-hydroxy-5-methoxycarbonyl-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(1R,3R)-5-hydroxy-5-methoxycarbonyl-2,3-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]cyclohexyl] ester IUPAC Name: [(1R,3R)-5-hydroxy-5-methoxycarbonyl-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(1R,3R)-5-carbomethoxy-2,3-digalloyloxy-5-hydroxy-cyclohexyl] ester Formula: C29H26O18 MolecularWeight: 662.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(C(C1)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

Isomeric SMILES

COC(=O)C1(C[C@H](C([C@@H](C1)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

InChI

InChI=1S/C29H26O18/c1-44-28(42)29(43)8-19(45-25(39)10-2-13(30)21(36)14(31)3-10)24(47-27(41)12-6-17(34)23(38)18(35)7-12)20(9-29)46-26(40)11-4-15(32)22(37)16(33)5-11/h2-7,19-20,24,30-38,43H,8-9H2,1H3/t19-,20-,24?,29?/m1/s1