(3S,5R,10S,13R,14R,17R)-17-[(2R)-4-(3,3-Dimethylaziridin-2-Yl)Butan-2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 104960-23-8]

Identification

• Name: (3S,5R,10S,13R,14R,17R)-17-[(2R)-4-(3,3-Dimethylaziridin-2-Yl)Butan-2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,5R,10S,13R,14R,17R)-17-[(1R)-3-(3,3-Dimethylaziridin-2-Yl)-1-Methyl-Propyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,5R,10S,13R,14R,17R)-17-[(1R)-3-(3,3-Dimethyl-2-Aziridinyl)-1-Methylpropyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,5R,10S,13R,14R,17R)-17-[(1R)-3-(3,3-Dimethylethylenimin-2-Yl)-1-Methyl-Propyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₃₀H₅₁NO
• Molecular Weight: 441.74
• CAS Registry Number: 104960-23-8
• SMILES: [C@@H]1(CC[C@]2([C@H](C1(C)C)CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@@H](CCC5NC5(C)C)C)C)C)C)O
• InChI: 1S/C30H51NO/c1-19(9-12-24-27(4,5)31-24)20-13-17-30(8)22-10-11-23-26(2,3)25(32)15-16-28(23,6)21(22)14-18-29(20,30)7/h19-20,23-25,31-32H,9-18H2,1-8H3/t19-,20-,23+,24?,25+,28-,29-,30+/m1/s1
• InChIKey: JDIKVIQXIGRCEN-JACZRFEKSA-N

Properties

• Density: 1.031g/cm³ (Cal.)
• Boiling point: 513.641°C at 760 mmHg (Cal.)
• Flash point: -23.505°C (Cal.)