(3S,8S,9R,10S,13R,14R,17S)-17-[(2R)-5-Dimethylaminopentan-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# 1973-61-1]

Identification

• Name: (3S,8S,9R,10S,13R,14R,17S)-17-[(2R)-5-Dimethylaminopentan-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,13R,14S,17R)-17-[(1R)-4-Dimethylamino-1-Methyl-Butyl]-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,13R,14S,17R)-17-[(1R)-4-Dimethylamino-1-Methylbutyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 24-(Dimethylamino)Chol-5-En-3Beta-Ol
• Molecular Formula: C₂₆H₄₅NO
• Molecular Weight: 387.65
• CAS Registry Number: 1973-61-1
• SMILES: [C@@H]4(CC[C@]2(C(=CC[C@H]3[C@@H]1CC[C@H]([C@@H](CCCN(C)C)C)[C@@]1(C)CC[C@H]23)C4)C)O
• InChI: 1S/C26H45NO/c1-18(7-6-16-27(4)5)22-10-11-23-21-9-8-19-17-20(28)12-14-25(19,2)24(21)13-15-26(22,23)3/h8,18,20-24,28H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1
• InChIKey: RZPPEFJMRVRCDD-XSLNCIIRSA-N

Properties

• Density: 1.017g/cm³ (Cal.)
• Boiling point: 481.453°C at 760 mmHg (Cal.)
• Flash point: 200.162°C (Cal.)