3beta-[3-O-Methyl-4-o-(6-o-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-cardanolide-20(22)-ene
[CAS# 9007-56-1]

Identification

• Name: 3beta-[3-O-Methyl-4-o-(6-o-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-cardanolide-20(22)-ene
• Synonyms: 4-[14-Hydroxy-3-[4-Methoxy-6-Methyl-5-[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phena
• Molecular Formula: C₄₂H₆₆O₁₇
• Molecular Weight: 842.97
• CAS Registry Number: 9007-56-1
• SMILES: C(C7OC(OC6C(CC(OC5CC4C(C3C(C2(C(C(C1=CC(=O)OC1)CC2)(CC3)C)O)CC4)(CC5)C)OC6C)OC)C(C(O)C7O)O)OC8OC(C(O)C(C8O)O)CO
• InChI: 1S/C42H66O17/c1-19-37(59-39-36(50)34(48)32(46)28(58-39)18-54-38-35(49)33(47)31(45)27(16-43)57-38)26(52-4)15-30(55-19)56-22-7-10-40(2)21(14-22)5-6-25-24(40)8-11-41(3)23(9-12-42(25,41)51)20-13-29(44)53-17-20/h13,19,21-28,30-39,43,45-51H,5-12,14-18H2,1-4H3
• InChIKey: ITKDSJDYFJAVTJ-UHFFFAOYSA-N

Properties

• Density: 1.431g/cm³ (Cal.)
• Boiling point: 975.469°C at 760 mmHg (Cal.)
• Flash point: 288.301°C (Cal.)