Bufogenin B
[CAS# 465-19-0]

Identification

• Name: Bufogenin B
• Synonyms: 5-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-Trihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Pyranone; 16-Beta-Hydroxybufalin; 3-Beta,14,16-Beta-Trihydroxy-5-Beta-Bufa-20,22-Dienolide
• Molecular Formula: C₂₄H₃₄O₅
• Molecular Weight: 402.53
• CAS Registry Number: 465-19-0
• SMILES: [C@]13([C@@]([C@H]([C@H](C1)O)C2=COC(C=C2)=O)(CCC4C3CC[C@H]5[C@@]4(CC[C@@H](C5)O)C)C)O
• InChI: 1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)21(19(26)12-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17?,18?,19+,21+,22+,23-,24+/m1/s1
• InChIKey: MWFCMSURKYLINK-DMQWCLGJSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 597.394°C at 760 mmHg (Cal.)
• Flash point: 204.076°C (Cal.)