Digoxigenin-Bis(Digitoxoside)
[CAS# 5297-05-2]

Identification

• Name: Digoxigenin-Bis(Digitoxoside)
• Synonyms: 4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-12,14-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-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-12,14-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-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Oxan-2-Yl]Oxy-4-Hydroxy-6-Methyl-Oxan-2-Yl]Oxy-12,14-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: 5297-05-2
• EINECS: 226-143-0
• SMILES: [C@]23([C@@]([C@@H](C1=CC(=O)OC1)CC2)([C@H](O)C[C@H]6[C@H]3CC[C@@H]7C[C@@H](O[C@@H]4O[C@H](C)[C@H]([C@H](C4)O)O[C@@H]5O[C@H](C)[C@H]([C@H](C5)O)O)CC[C@]67C)C)O
• InChI: 1S/C35H54O11/c1-17-31(40)25(36)14-30(43-17)46-32-18(2)44-29(15-26(32)37)45-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(38)34(4)22(8-10-35(23,34)41)19-11-28(39)42-16-19/h11,17-18,20-27,29-32,36-38,40-41H,5-10,12-16H2,1-4H3/t17-,18-,20-,21+,22-,23-,24+,25+,26+,27-,29+,30+,31-,32-,33+,34+,35+/m1/s1
• InChIKey: NTSBMKIZRSBFTA-AIDOXSFESA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 825.973°C at 760 mmHg (Cal.)
• Flash point: 256.905°C (Cal.)