(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate

CAS: 18483-17-5

Formula: C27H24O18

SMILES: O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1

IUPAC: (2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate

InChI: InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1

Composition: C (50.95%), H (3.80%), O (45.25%)

Molar Mass: 636.471

Atom Count: 69

Heavy Atom Count: 45