Cholest-5-ene-3beta,22-diol
[CAS# 17711-16-9]

Identification

• Name: Cholest-5-ene-3beta,22-diol
• Synonyms: (3S,8S,9S,10R,13S,14S,17R)-17-[(1S)-2-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,17R)-17-[(1S)-2-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,17R)-17-[(2S)-3-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: 17711-16-9
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](C(O)CCC(C)C)C)C
• InChI: 1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25?,26-,27+/m0/s1
• InChIKey: RZPAXNJLEKLXNO-UKNNTIGFSA-N

Properties

• Density: 1.034g/cm³ (Cal.)
• Boiling point: 513.101°C at 760 mmHg (Cal.)
• Flash point: 213.532°C (Cal.)

References

• (1): Yuqin WangAuthors contributed equally., Kyle M. Sousa, Karl Bodin, Spyridon Theofilopoulos, Paola Sacchetti, Martin Hornshaw, Gary Woffendin, Kersti Karu, Jan Sjövall, Ernest Arenas and William J. Griffiths. Targeted lipidomic analysis of oxysterols in the embryonic central nervous system, Mol. Biosyst., 2009, 5, 529.