Cholest-8(14)-Ene-3,26-Diol-15-One
[CAS# 114182-43-3]

Identification

• Name: Cholest-8(14)-Ene-3,26-Diol-15-One
• Synonyms: (3S,5S,9R,10S,13R,17R)-3-Hydroxy-17-[(1R)-6-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; (3S,5S,9R,10S,13R,17R)-3-Hydroxy-17-[(1R)-6-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; (3S,5S,9R,10S,13R,17R)-3-Hydroxy-17-[(2R)-7-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One
• Molecular Formula: C₂₇H₄₄O₃
• Molecular Weight: 416.64
• CAS Registry Number: 114182-43-3
• SMILES: [C@@H]13[C@@]4([C@@H](CCC1=C2[C@@]([C@H](CC2=O)[C@@H](CCCC(CO)C)C)(CC3)C)C[C@@H](O)CC4)C
• InChI: 1S/C27H44O3/c1-17(16-28)6-5-7-18(2)23-15-24(30)25-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h17-20,22-23,28-29H,5-16H2,1-4H3/t17?,18-,19+,20+,22+,23-,26+,27-/m1/s1
• InChIKey: DSHHTQBAVZFVEB-FIQLLAGNSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 553.803°C at 760 mmHg (Cal.)
• Flash point: 302.788°C (Cal.)