Vitisin B

chemical compound

Formula: C56H42O12
Molecular weight: 906.9 g/mol
IUPAC name: 5-[(2R,3R)-6-[(2R,3R)-5-[(E)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
SMILES: C1=CC(=CC=C1[C@H]2[C@@H](C3=C(O2)C=CC(=C3)/C=C/C4=C5[C@H]([C@@H](OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)C8=CC(=C9[C@H]([C@@H](OC9=C8)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O
InChIKey: SPRFPODGXUUTIB-APEUUSFDSA-N
XLogP: 10
Polar surface area: 210 Å²
H-bond donors: 9
H-bond acceptors: 12
Formal charge: 0

via PubChem

Show 4 more facts

canonical SMILES: C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC5=C4C(C(O5)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)O)C8=CC9=C(C(C(O9)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)C(=C8)O)O
chemical formula: C₅₆H₄₂O₁₂
isomeric SMILES: C1=CC(=CC=C1[C@H]2[C@@H](C3=C(O2)C=CC(=C3)/C=C/C4=CC(=CC5=C4[C@H]([C@@H](O5)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)O)C8=CC9=C([C@H]([C@@H](O9)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)C(=C8)O)O
found in taxon: Vitis vinifera

Sources (1)