(4R)-N-(2-Aminoethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-3,7-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanamide
[CAS# 78793-10-9]

Identification

• Name: (4R)-N-(2-Aminoethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-3,7-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanamide
• Synonyms: (4R)-N-(2-Aminoethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-3,7-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeramide; Cholan-24-Amide, N-(2-Aminoethyl)-3,7-Dihydroxy-, (3Alpha,5Beta,7Alpha)-; N-(2-Aminoethyl)-3,7-Dihydroxycholan-24-Amide
• Molecular Formula: C₂₆H₄₆N₂O₃
• Molecular Weight: 434.66
• CAS Registry Number: 78793-10-9
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)C[C@H]([C@H]4[C@@H]2CC[C@@H]([C@@H](CCC(=O)NCCN)C)[C@@]2(C)CC[C@H]34)O)C)O
• InChI: 1S/C26H46N2O3/c1-16(4-7-23(31)28-13-12-27)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(29)14-17(25)15-22(24)30/h16-22,24,29-30H,4-15,27H2,1-3H3,(H,28,31)/t16-,17+,18-,19+,20+,21+,22-,24+,25+,26-/m1/s1
• InChIKey: PJQVFKBWSMRJQG-CEKROEOGSA-N

Properties

• Density: 1.098g/cm³ (Cal.)
• Boiling point: 617.102°C at 760 mmHg (Cal.)
• Flash point: 327.011°C (Cal.)