(8R,9S,10R,13R,14S,17R)-13-Methyl-17-[(2R)-6-Methylheptan-2-Yl]-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 3404-22-6]

Identification

• Name: (8R,9S,10R,13R,14S,17R)-13-Methyl-17-[(2R)-6-Methylheptan-2-Yl]-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (8R,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-13-Methyl-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; 19-Norcholest-4-En-3-One
• Molecular Formula: C₂₆H₄₂O
• Molecular Weight: 370.62
• CAS Registry Number: 3404-22-6
• SMILES: [C@]34([C@H]([C@@H]2CCC1=CC(CC[C@@H]1[C@H]2CC3)=O)CC[C@@H]4[C@@H](CCCC(C)C)C)C
• InChI: 1S/C26H42O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h16-18,21-25H,5-15H2,1-4H3/t18-,21+,22-,23-,24-,25+,26-/m1/s1
• InChIKey: GJQWMFNAGHAFDW-DNHZKMRASA-N

Properties

• Density: 0.99g/cm³ (Cal.)
• Boiling point: 479.807°C at 760 mmHg (Cal.)
• Flash point: 242.56°C (Cal.)