17-(1,5-Dimethylhexyl)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,9,10,11,12,13,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-15-One
[CAS# 50673-97-7]

Identification

• Name: 17-(1,5-Dimethylhexyl)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,9,10,11,12,13,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-15-One
• Synonyms: (3S,5S,10S,13R,17R)-17-(1,5-Dimethylhexyl)-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; 3Beta-Hydroxy-5Alpha-Cholest-8(14)-En-15-One; Cl 274,471
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 50673-97-7
• SMILES: [C@]34(C2C(=C1[C@@]([C@H](CC1=O)C(CCCC(C)C)C)(CC2)C)CC[C@H]3C[C@@H](O)CC4)C
• InChI: 1S/C27H44O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-20,22-23,28H,6-16H2,1-5H3/t18?,19-,20-,22?,23+,26-,27+/m0/s1
• InChIKey: LINVVMHRTUSXHL-NDNSGUFDSA-N

Properties

• Density: 1.034g/cm³ (Cal.)
• Boiling point: 516.055°C at 760 mmHg (Cal.)
• Flash point: 218.23°C (Cal.)