3b-Hydroxy-15-Oxo-5b,14a-Bufa-20,22-Dienolide
[CAS# 468-86-0]

Identification

• Name: 3b-Hydroxy-15-Oxo-5b,14a-Bufa-20,22-Dienolide
• Synonyms: 5-(3-Hydroxy-10,13-Dimethyl-15-Oxo-1,2,3,4,5,6,7,8,9,11,12,14,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl)-2-Pyranone; 5-(3-Hydroxy-15-Keto-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl)Pyran-2-One; 14.Alpha.-Artebufogenin
• Molecular Formula: C₂₄H₃₂O₄
• Molecular Weight: 384.51
• CAS Registry Number: 468-86-0
• SMILES: CC45C1C(C2C(CC1)(C(CC2=O)C3=COC(=O)C=C3)C)CCC4CC(O)CC5
• InChI: 1S/C24H32O4/c1-23-9-7-16(25)11-15(23)4-5-17-18(23)8-10-24(2)19(12-20(26)22(17)24)14-3-6-21(27)28-13-14/h3,6,13,15-19,22,25H,4-5,7-12H2,1-2H3
• InChIKey: NTLOERPHSXBROY-UHFFFAOYSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 563.132°C at 760 mmHg (Cal.)
• Flash point: 192.581°C (Cal.)