3beta-[[4-O-[4-O-(2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl)-2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl]-2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl]Oxy]-14-Hydroxy-16beta-(3-Methyl-1-Oxobutoxy)-5beta-Card-20(22)-Enolide
[CAS# 26184-94-1]

Identification

• Name: 3beta-[[4-O-[4-O-(2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl)-2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl]-2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl]Oxy]-14-Hydroxy-16beta-(3-Methyl-1-Oxobutoxy)-5beta-Card-20(22)-Enolide
• Synonyms: [(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,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-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] 3-Methylbutanoate; 3-Methylbutanoic Acid [(3S,5R,8R,9S,10S,13R,14S,17S)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester; 3-Methylbutyric Acid [(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,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-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester
• Molecular Formula: C₄₆H₇₂O₁₅
• Molecular Weight: 865.07
• CAS Registry Number: 26184-94-1
• SMILES: [C@H]34[C@]1(O)[C@@]([C@@H](C(OC(=O)CC(C)C)C1)C2=CC(OC2)=O)(CC[C@@H]3[C@@]8([C@H](CC4)C[C@@H](O[C@@H]7O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@@H](O)C5)C)[C@@H](O)C6)C)[C@@H](O)C7)C)CC8)C)C
• InChI: 1S/C46H72O15/c1-22(2)14-36(51)59-34-20-46(53)30-9-8-27-16-28(10-12-44(27,6)29(30)11-13-45(46,7)40(34)26-15-35(50)54-21-26)58-37-18-32(48)42(24(4)56-37)61-39-19-33(49)43(25(5)57-39)60-38-17-31(47)41(52)23(3)55-38/h15,22-25,27-34,37-43,47-49,52-53H,8-14,16-21H2,1-7H3/t23-,24-,25-,27-,28+,29+,30-,31+,32+,33+,34?,37+,38+,39+,40-,41-,42-,43-,44+,45-,46+/m1/s1
• InChIKey: WAUXRNRLQUPPMA-HHTDSMBASA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 939.926°C at 760 mmHg (Cal.)
• Flash point: 270.639°C (Cal.)