3beta-(alpha-L-Rhamnopyranosyloxy)-5,14-Dihydroxy-19-Oxo-5beta-Bufa-20,22-Dienolide
[CAS# 20300-44-1]

Identification

• Name: 3beta-(alpha-L-Rhamnopyranosyloxy)-5,14-Dihydroxy-19-Oxo-5beta-Bufa-20,22-Dienolide
• Synonyms: (3S,5S,10S,13R,14S,17R)-5,14-Dihydroxy-13-Methyl-17-(6-Oxopyran-3-Yl)-3-[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; (3S,5S,10S,13R,14S,17R)-5,14-Dihydroxy-13-Methyl-17-(6-Oxo-3-Pyranyl)-3-[[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,5S,10S,13R,14S,17R)-5,14-Dihydroxy-17-(6-Ketopyran-3-Yl)-13-Methyl-3-[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₃₀H₄₂O₁₀
• Molecular Weight: 562.66
• CAS Registry Number: 20300-44-1
• SMILES: [C@@]13(O)[C@@]([C@H](CC1)C2=COC(=O)C=C2)(CCC4[C@@]6([C@](O)(CCC34)C[C@@H](O[C@H]5OC([C@@H](O)C(O)C5O)C)CC6)C=O)C
• InChI: 1S/C30H42O10/c1-16-23(33)24(34)25(35)26(39-16)40-18-5-10-28(15-31)20-6-9-27(2)19(17-3-4-22(32)38-14-17)8-12-30(27,37)21(20)7-11-29(28,36)13-18/h3-4,14-16,18-21,23-26,33-37H,5-13H2,1-2H3/t16?,18-,19+,20?,21?,23+,24?,25?,26+,27+,28-,29-,30-/m0/s1
• InChIKey: HNNFRQFXBWSJBX-YWRJWMALSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 761.931°C at 760 mmHg (Cal.)
• Flash point: 246.967°C (Cal.)