Gitoxigenin Bisdigitoxoside
[CAS# 27856-87-7]

Identification

• Name: Gitoxigenin Bisdigitoxoside
• Synonyms: 4-[3-[5-(4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14,16-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[3-[[5-[(4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14,16-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[3-[5-(4,5-Dihydroxy-6-Methyl-Oxan-2-Yl)Oxy-4-Hydroxy-6-Methyl-Oxan-2-Yl]Oxy-14,16-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₃₅H₅₄O₁₁
• Molecular Weight: 650.81
• CAS Registry Number: 27856-87-7
• SMILES: CC56C(C4C(C3(CCC(OC1OC(C)C(C(C1)O)OC2OC(C)C(C(C2)O)O)CC3CC4)C)CC5)(CC(O)C6C7=CC(=O)OC7)O
• InChI: 1S/C35H54O11/c1-17-31(40)24(36)13-29(43-17)46-32-18(2)44-28(14-25(32)37)45-21-7-9-33(3)20(12-21)5-6-23-22(33)8-10-34(4)30(19-11-27(39)42-16-19)26(38)15-35(23,34)41/h11,17-18,20-26,28-32,36-38,40-41H,5-10,12-16H2,1-4H3
• InChIKey: XTHIXAGXFWPWQI-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 827.307°C at 760 mmHg (Cal.)
• Flash point: 257.372°C (Cal.)