Vitisin A
[CAS# 142449-89-6]

Identification

• Name: Vitisin A
• Molecular Formula: C₅₆H₄₂O₁₂
• Molecular Weight: 906.94
• CAS Registry Number: 142449-89-6
• SMILES: [C@H]15C3=C(O[C@@H]1C2=CC=C(O)C=C2)C=C(O)C=C3[C@@H]([C@@H](C4=CC=C(O)C=C4)C6=C5C=C(C=C6O)O)C7=CC(=CC=C7O)/C=C/C%10=C9[C@@H]([C@@H](C8=CC=C(C=C8)O)OC9=CC(=C%10)O)C%11=CC(=CC(=C%11)O)O
• InChI: 1S/C56H42O12/c57-33-10-4-28(5-11-33)49-51(42-23-40(64)26-47-53(42)54(43-22-39(63)24-45(66)52(43)49)56(68-47)30-8-14-35(59)15-9-30)41-17-27(2-16-44(41)65)1-3-31-18-38(62)25-46-48(31)50(32-19-36(60)21-37(61)20-32)55(67-46)29-6-12-34(58)13-7-29/h1-26,49-51,54-66H/b3-1+/t49-,50+,51+,54+,55-,56-/m1/s1
• InChIKey: XAXVWWYPKOGXSY-DBHYGPPCSA-N

Properties

• Density: 1.518g/cm³ (Cal.)