(3S,4R,5R,9R,10R,13R,14R,17R)-3-Dimethylamino-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-4-Ol
[CAS# 159934-14-2]

Identification

• Name: (3S,4R,5R,9R,10R,13R,14R,17R)-3-Dimethylamino-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-4-Ol
• Synonyms: (3S,4R,5R,9R,10R,13R,14R,17R)-3-Dimethylamino-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-4-Ol; (3S,4R,5R,9R,10R,13R,14R,17R)-3-Dimethylamino-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-4-Ol; (3S,4R,5R,9R,10R,13R,14R,17R)-3-Dimethylamino-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-4-Ol
• Molecular Formula: C₃₁H₅₀N₂O
• Molecular Weight: 466.75
• CAS Registry Number: 159934-14-2
• SMILES: [C@@H]25[C@@]1([C@H]([C@@H](O)[C@@H](N(C)C)CC1)CC=C2[C@H]3[C@@]([C@H](CC3)[C@@H](CC4=NCCC4=C(C)C)C)(CC5)C)C
• InChI: 1S/C31H50N2O/c1-19(2)21-14-17-32-27(21)18-20(3)23-10-11-24-22-8-9-26-29(34)28(33(6)7)13-16-31(26,5)25(22)12-15-30(23,24)4/h8,20,23-26,28-29,34H,9-18H2,1-7H3/t20-,23-,24+,25+,26+,28+,29-,30-,31-/m1/s1
• InChIKey: VIMZHTFJEDRKBC-GQYVRWDISA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 568.41°C at 760 mmHg (Cal.)
• Flash point: 297.564°C (Cal.)