Strophanthidin 3-[(Dimethylamino)Acetate]
[CAS# 63979-67-9]

Identification

• Name: Strophanthidin 3-[(Dimethylamino)Acetate]
• Synonyms: 2-Dimethylaminoacetic Acid [(3S,5S,8R,9S,10S,13R,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-Dimethylaminoacetic Acid [(3S,5S,8R,9S,10S,13R,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,8R,9S,10S,13R,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-Dimethylaminoethanoate
• Molecular Formula: C₂₇H₃₉NO₇
• Molecular Weight: 489.61
• CAS Registry Number: 63979-67-9
• SMILES: [C@H]13[C@@H]([C@@]2([C@](O)(CC1)C[C@@H](OC(=O)CN(C)C)CC2)C=O)CC[C@]4(C3(O)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C27H39NO7/c1-24-8-5-20-21(27(24,33)11-7-19(24)17-12-22(30)34-15-17)6-10-26(32)13-18(4-9-25(20,26)16-29)35-23(31)14-28(2)3/h12,16,18-21,32-33H,4-11,13-15H2,1-3H3/t18-,19+,20-,21+,24+,25-,26-,27?/m0/s1
• InChIKey: PRAYBZARQMSRQG-ASOFOFSQSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 643.697°C at 760 mmHg (Cal.)
• Flash point: 343.096°C (Cal.)