[(2R,3R)-2-[3a,5,6-tris(oxidanyl)-3-oxidanylidene-1-[(2R,3R)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]-8bH-cyclopenta[b][1]benzofuran-8-yl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(2R,3R)-2-[3a,5,6-tris(oxidanyl)-3-oxidanylidene-1-[(2R,3R)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]-8bH-cyclopenta[b][1]benzofuran-8-yl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3R)-2-[3a,5,6-trihydroxy-3-oxo-1-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]-8bH-cyclopenta[b]benzofuran-8-yl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-[3a,5,6-trihydroxy-3-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-8bH-cyclopenta[b]benzofuran-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3R)-2-[3a,5,6-trihydroxy-3-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-8bH-cyclopenta[b][1]benzofuran-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-[3a,5,6-trihydroxy-3-keto-1-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]-8bH-cyclopenta[b]benzofuran-8-yl]-5,7-dihydroxy-chroman-3-yl] ester Formula: C36H28O17 MolecularWeight: 732.59732

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C4(C3C5=C(O4)C(=C(C=C5C6C(CC7=C(C=C(C=C7O6)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)O)O

Isomeric SMILES

C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C4(C3C5=C(O4)C(=C(C=C5[C@@H]6[C@@H](CC7=C(C=C(C=C7O6)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)O)O

InChI

InChI=1S/C36H28O17/c37-12-3-18(39)14-7-23(44)32(50-24(14)5-12)17-10-27(45)36(49)29(17)28-16(8-22(43)31(47)34(28)53-36)33-26(9-15-19(40)4-13(38)6-25(15)51-33)52-35(48)11-1-20(41)30(46)21(42)2-11/h1-6,8,10,23,26,29,32-33,37-44,46-47,49H,7,9H2/t23-,26-,29?,32-,33-,36?/m1/s1