Vescalagin
[CAS# 36001-47-5]

Identification

• Name: Vescalagin
• Synonyms: Vescalagin
• Molecular Formula: C₄₁H₂₆O₂₆
• Molecular Weight: 934.64
• CAS Registry Number: 36001-47-5
• SMILES: [C@H]29OC(=O)C8=C(C1=C(O)C(=C(O)C6=C1C(OC2[C@@H]5OC(=O)C3=CC(=C(O)C(=C3C4=C(O)C(=C(O)C=C4C(OCC5OC(=O)C7=CC(=C(O)C(=C67)O)O)=O)O)O)O)=O)O)C(=C(O)C(=C8[C@H]9O)O)O
• InChI: 1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11?,31-,34-,35-,36?/m1/s1
• InChIKey: UDYKDZHZAKSYCO-OHJDNFKWSA-N

Properties

• Density: 2.035g/cm³ (Cal.)