16beta-Acetoxy-5-(beta-D-Glucopyranosyloxy)-14-Hydroxy-19-Oxo-5beta-Bufa-3,20,22-Trienolide
[CAS# 11005-49-5]

Identification

• Name: 16beta-Acetoxy-5-(beta-D-Glucopyranosyloxy)-14-Hydroxy-19-Oxo-5beta-Bufa-3,20,22-Trienolide
• Synonyms: [(5S,10S,13R,14S,16S,17R)-10-Formyl-14-Hydroxy-13-Methyl-17-(6-Oxopyran-3-Yl)-5-[(2S,5S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2,6,7,8,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-16-Yl] Acetate; Acetic Acid [(5S,10S,13R,14S,16S,17R)-10-Formyl-14-Hydroxy-13-Methyl-17-(6-Oxo-3-Pyranyl)-5-[[(2S,5S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2,6,7,8,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-16-Yl] Ester; Acetic Acid [(5S,10S,13R,14S,16S,17R)-10-Formyl-14-Hydroxy-17-(6-Ketopyran-3-Yl)-13-Methyl-5-[(2S,5S)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2,6,7,8,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-16-Yl] Ester
• Molecular Formula: C₃₂H₄₂O₁₂
• Molecular Weight: 618.68
• CAS Registry Number: 11005-49-5
• SMILES: [C@@]14(O)[C@@]([C@H]([C@@H](OC(=O)C)C1)C2=COC(=O)C=C2)(CCC5[C@@]6([C@](O[C@@H]3OC([C@@H](O)C(O)C3O)CO)(CCC45)C=CCC6)C=O)C
• InChI: 1S/C32H42O12/c1-17(35)42-21-13-32(40)20-8-12-31(44-28-27(39)26(38)25(37)22(14-33)43-28)10-4-3-9-30(31,16-34)19(20)7-11-29(32,2)24(21)18-5-6-23(36)41-15-18/h4-6,10,15-16,19-22,24-28,33,37-40H,3,7-9,11-14H2,1-2H3/t19?,20?,21-,22?,24-,25+,26?,27?,28-,29+,30-,31+,32-/m0/s1
• InChIKey: DDAAWSFCUWNNES-VZVRGTEASA-N

Properties

• Density: 1.452g/cm³ (Cal.)
• Boiling point: 798.897°C at 760 mmHg (Cal.)
• Flash point: 254.636°C (Cal.)