(5R,8S,9S,10R,13R,14S,17R)-5-Chloro-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene
[CAS# 74098-16-1]

Identification

• Name: (5R,8S,9S,10R,13R,14S,17R)-5-Chloro-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene
• Synonyms: (5R,8S,9S,10R,13R,14S,17R)-5-Chloro-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene; 5-Chloro-5Beta-Cholestane; 5-Chlorocholestane
• Molecular Formula: C₂₇H₄₇Cl
• Molecular Weight: 407.12
• CAS Registry Number: 74098-16-1
• SMILES: [C@@H]4([C@@H](CCCC(C)C)C)[C@@]3([C@H]([C@@H]2CC[C@@]1(CCCC[C@@]1([C@H]2CC3)C)Cl)CC4)C
• InChI: 1S/C27H47Cl/c1-19(2)9-8-10-20(3)22-11-12-23-21-13-18-27(28)16-7-6-15-26(27,5)24(21)14-17-25(22,23)4/h19-24H,6-18H2,1-5H3/t20-,21+,22-,23+,24+,25-,26-,27-/m1/s1
• InChIKey: DFYRMYFDFYNXBS-QRDISTMWSA-N

Properties

• Density: 0.988g/cm³ (Cal.)
• Boiling point: 467.228°C at 760 mmHg (Cal.)
• Flash point: 245.893°C (Cal.)