(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-Aminopropan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 78949-97-0]

Identification

• Name: (3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-Aminopropan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,8S,9S,10R,13S,14S,17R)-17-[(1S)-2-Amino-1-Methyl-Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13S,14S,17R)-17-[(1S)-2-Amino-1-Methylethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 22-Amino-23,24-Bisnor-5-Cholen-3-Ol
• Molecular Formula: C₂₂H₃₇NO
• Molecular Weight: 331.54
• CAS Registry Number: 78949-97-0
• SMILES: [C@@H]4(CC[C@]1(C(=CC[C@@H]2[C@@H]1CC[C@]3([C@H]2CC[C@@H]3[C@@H](CN)C)C)C4)C)O
• InChI: 1S/C22H37NO/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,14,16-20,24H,5-13,23H2,1-3H3/t14-,16+,17+,18-,19+,20+,21+,22-/m1/s1
• InChIKey: CEHZYZVJEXXYPM-NBOCEFNVSA-N

Properties

• Density: 1.058g/cm³ (Cal.)
• Boiling point: 453.473°C at 760 mmHg (Cal.)
• Flash point: 228.053°C (Cal.)