(1S,3R,4R,5R)-3-[3,5-bis(oxidanyl)-4-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-phenyl]carbonyloxy-1-oxidanyl-4,5-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,3R,4R,5R)-3-[3,5-bis(oxidanyl)-4-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-phenyl]carbonyloxy-1-oxidanyl-4,5-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexane-1-carboxylic acid Openeye Name: (1S,3R,4R,5R)-3-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-benzoyl]oxy-1-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid CAS Name: (1S,3R,4R,5R)-3-[[3,5-dihydroxy-4-[oxo-(3,4,5-trihydroxyphenyl)methoxy]phenyl]-oxomethoxy]-1-hydroxy-4,5-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,3R,4R,5R)-3-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-1-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid Traditional Name: (1S,3R,4R,5R)-3,4-digalloyloxy-5-(4-galloyloxy-3,5-dihydroxy-benzoyl)oxy-1-hydroxy-cyclohexanecarboxylic acid Formula: C35H28O22 MolecularWeight: 800.58362

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O

Isomeric SMILES

C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O

InChI

InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(29(23)57-33(50)13-5-19(40)27(46)20(41)6-13)55-31(48)14-7-21(42)28(22(43)8-14)56-32(49)12-3-17(38)26(45)18(39)4-12/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29-,35+/m1/s1