4-Cholesten-6-Ol-3-One
[CAS# 570-89-8]

Identification

• Name: 4-Cholesten-6-Ol-3-One
• Synonyms: (6R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-6-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; 4-Cholesten-6-Ol-3-One; 4-Cholesten-6Beta-Ol-3-One
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 570-89-8
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)[C@H](O)C4)C)C
• InChI: 1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23,25,29H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,25-,26-,27-/m1/s1
• InChIKey: VUCDSTCRVYGRSG-ZAAZJSNSSA-N

Properties

• Density: 1.032g/cm³ (Cal.)
• Boiling point: 518.024°C at 760 mmHg (Cal.)
• Flash point: 219.002°C (Cal.)