(3S,8S,9S,10R,13R,14S,17R)-3-Hexoxy-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
[CAS# 74996-31-9]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-3-Hexoxy-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Hexoxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; Cholesteryl Hexyl Ether
• Molecular Formula: C₃₃H₅₈O
• Molecular Weight: 470.82
• CAS Registry Number: 74996-31-9
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OCCCCCC)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C33H58O/c1-7-8-9-10-22-34-27-18-20-32(5)26(23-27)14-15-28-30-17-16-29(25(4)13-11-12-24(2)3)33(30,6)21-19-31(28)32/h14,24-25,27-31H,7-13,15-23H2,1-6H3/t25-,27+,28+,29-,30+,31+,32+,33-/m1/s1
• InChIKey: HRBCQWUHUOMSHS-IJXDZZBXSA-N

Properties

• Density: 0.948g/cm³ (Cal.)
• Boiling point: 531.962°C at 760 mmHg (Cal.)
• Flash point: 278.331°C (Cal.)