5-(beta-D-Glucopyranosyloxy)-14-Hydroxy-19-Oxo-5beta-Bufa-3,20,22-Trienolide
[CAS# 510-58-7]

Identification

• Name: 5-(beta-D-Glucopyranosyloxy)-14-Hydroxy-19-Oxo-5beta-Bufa-3,20,22-Trienolide
• Synonyms: (5S,10S,13R,14S,17R)-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]Phenanthrene-10-Carbaldehyde; (5S,10S,13R,14S,17R)-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]Phenanthrene-10-Carboxaldehyde; (5S,10S,13R,14S,17R)-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]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₃₀H₄₀O₁₀
• Molecular Weight: 560.64
• CAS Registry Number: 510-58-7
• SMILES: [C@@]14(O)[C@@]([C@H](CC1)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/C30H40O10/c1-27-11-6-19-20(30(27,37)13-8-18(27)17-4-5-22(33)38-15-17)7-12-29(10-3-2-9-28(19,29)16-32)40-26-25(36)24(35)23(34)21(14-31)39-26/h3-5,10,15-16,18-21,23-26,31,34-37H,2,6-9,11-14H2,1H3/t18-,19?,20?,21?,23-,24?,25?,26+,27-,28+,29-,30+/m1/s1
• InChIKey: QDBIBEXZLJNVNH-AVEKKHMSSA-N