(3beta)-3-(beta-D-Glucopyranosyloxy)-8,14-dihydroxy-Bufa-4,20,22-trienolide
[CAS# 23604-99-1]

Identification

• Name: (3beta)-3-(beta-D-Glucopyranosyloxy)-8,14-dihydroxy-Bufa-4,20,22-trienolide
• Synonyms: 5-[(3S,8S,9R,10R,13R,14R,17R)-8,14-Dihydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2,3,6,7,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pyran-2-One; 5-[(3S,8S,9R,10R,13R,14R,17R)-8,14-Dihydroxy-10,13-Dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2,3,6,7,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Pyranone; 5-[(3S,8S,9R,10R,13R,14R,17R)-8,14-Dihydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2,3,6,7,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pyran-2-One
• Molecular Formula: C₃₀H₄₂O₁₀
• Molecular Weight: 562.66
• CAS Registry Number: 23604-99-1
• SMILES: [C@H]6(O)[C@H](O[C@H]5CC[C@@]4([C@H]3CC[C@@]2([C@@H](C1=COC(C=C1)=O)CC[C@@]2([C@@]3(CCC4=C5)O)O)C)C)O[C@@H]([C@H]([C@@H]6O)O)CO
• InChI: 1S/C30H42O10/c1-27-9-6-18(39-26-25(35)24(34)23(33)20(14-31)40-26)13-17(27)5-11-29(36)21(27)8-10-28(2)19(7-12-30(28,29)37)16-3-4-22(32)38-15-16/h3-4,13,15,18-21,23-26,31,33-37H,5-12,14H2,1-2H3/t18-,19+,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+/m0/s1
• InChIKey: BJMUUWKMFHDGQB-CZQKLFHBSA-N