(4aS,4bS,7S,8aS,10aR)-7-[(3R,4R)-4,8-Dimethylnonan-3-Yl]-4a,7-Dimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-Dodecahydrophenanthrene
[CAS# 131896-90-7]

Identification

• Name: (4aS,4bS,7S,8aS,10aR)-7-[(3R,4R)-4,8-Dimethylnonan-3-Yl]-4a,7-Dimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-Dodecahydrophenanthrene
• Synonyms: (4As,4Bs,7S,8As,10Ar)-7-[(1R,2R)-1-Ethyl-2,6-Dimethyl-Heptyl]-4A,7-Dimethyl-1,2,3,4,4B,5,6,8,8A,9,10,10A-Dodecahydrophenanthrene; (4As,4Bs,7S,8As,10Ar)-7-[(1R,2R)-1-Ethyl-2,6-Dimethylheptyl]-4A,7-Dimethyl-1,2,3,4,4B,5,6,8,8A,9,10,10A-Dodecahydrophenanthrene; 14,15-Secocholestane
• Molecular Formula: C₂₇H₅₀
• Molecular Weight: 374.69
• CAS Registry Number: 131896-90-7
• SMILES: [C@H]12CCCC[C@@]1([C@@H]3[C@@H](CC2)C[C@]([C@H](CC)[C@@H](CCCC(C)C)C)(C)CC3)C
• InChI: 1S/C27H50/c1-7-24(21(4)12-10-11-20(2)3)26(5)18-16-25-22(19-26)14-15-23-13-8-9-17-27(23,25)6/h20-25H,7-19H2,1-6H3/t21-,22+,23-,24-,25+,26+,27+/m1/s1
• InChIKey: GQMPTTYZVYHRBY-IWQSBPKASA-N

Properties

• Density: 0.874g/cm³ (Cal.)
• Boiling point: 438.523°C at 760 mmHg (Cal.)
• Flash point: 210.955°C (Cal.)