Strophanthidin 3-Bromoacetate
[CAS# 4956-18-7]

Identification

• Name: Strophanthidin 3-Bromoacetate
• Synonyms: 2-Bromoacetic Acid [(3S,5S,10S,13R,14S,17R)-10-Formyl-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 2-Bromoacetic Acid [(3S,5S,10S,13R,14S,17R)-10-Formyl-5,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,10S,13R,14S,17R)-5,14-Dihydroxy-10-Methanoyl-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 2-Bromoethanoate
• Molecular Formula: C₂₅H₃₃BrO₇
• Molecular Weight: 525.44
• CAS Registry Number: 4956-18-7
• SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@](O)(CC1)C[C@@H](OC(=O)CBr)CC2)C=O)CC3)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C25H33BrO7/c1-22-6-3-18-19(25(22,31)9-5-17(22)15-10-20(28)32-13-15)4-8-24(30)11-16(33-21(29)12-26)2-7-23(18,24)14-27/h10,14,16-19,30-31H,2-9,11-13H2,1H3/t16-,17+,18?,19?,22+,23-,24-,25-/m0/s1
• InChIKey: HQEHABLFHCPQHP-IFZLVPIESA-N

Properties

• Density: 1.491g/cm³ (Cal.)
• Boiling point: 653.792°C at 760 mmHg (Cal.)
• Flash point: 349.201°C (Cal.)