20alpha-Hydroxycholesterol
[CAS# 516-72-3]

Identification

• Classification: Analytical chemistry >> Standard >> Forensic and veterinary standards
• Name: 20alpha-Hydroxycholesterol
• Synonyms: (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₂₇H₄₆O₂
• Molecular Weight: 402.66
• CAS Registry Number: 516-72-3
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@@H]([C@@](O)(CCCC(C)C)C)CC4)C
• InChI: 1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
• InChIKey: MCKLJFJEQRYRQT-APGJSSKUSA-N

Properties

• Density: 1.036g/cm³ (Cal.)
• Boiling point: 512.256°C at 760 mmHg (Cal.)
• Flash point: 213.089°C (Cal.)

References

• (1): Nachtergaele et al.. Oxysterols are allosteric activators of the oncoprotein Smoothened, Nature Chemical Biology, 2012