N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-Hydroxy-10,13-Dimethyl-17-[(2R)-1-(3-Propan-2-Ylidene-4,5-Dihydropyrrol-2-Yl)Propan-2-Yl]-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl]Acetamide
[CAS# 159934-15-3]

Identification

• Name: N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-Hydroxy-10,13-Dimethyl-17-[(2R)-1-(3-Propan-2-Ylidene-4,5-Dihydropyrrol-2-Yl)Propan-2-Yl]-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl]Acetamide
• Synonyms: N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-Hydroxy-17-[(1R)-2-(3-Isopropylidene-4,5-Dihydropyrrol-2-Yl)-1-Methyl-Ethyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Acetamide; N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-Hydroxy-17-[(1R)-2-(3-Isopropylidene-4,5-Dihydropyrrol-2-Yl)-1-Methylethyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Acetamide; N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-Hydroxy-17-[(1R)-2-(3-Isopropylidene-1-Pyrrolin-2-Yl)-1-Methyl-Ethyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Acetamide
• Molecular Formula: C₃₁H₄₈N₂O₂
• Molecular Weight: 480.73
• CAS Registry Number: 159934-15-3
• SMILES: [C@@H]25[C@@]1([C@@H]([C@@H](O)[C@@H](NC(=O)C)CC1)CC=C2[C@H]3[C@@]([C@H](CC3)[C@@H](CC4=NCCC4=C(C)C)C)(CC5)C)C
• InChI: 1S/C31H48N2O2/c1-18(2)21-13-16-32-28(21)17-19(3)23-9-10-24-22-7-8-26-29(35)27(33-20(4)34)12-15-31(26,6)25(22)11-14-30(23,24)5/h7,19,23-27,29,35H,8-17H2,1-6H3,(H,33,34)/t19-,23-,24+,25+,26-,27+,29-,30-,31-/m1/s1
• InChIKey: QUNQBOZYERAKAG-HYWVEBSISA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 637.449°C at 760 mmHg (Cal.)
• Flash point: 339.317°C (Cal.)