(6alpha)-6-Hydroxycholest-4-En-3-One
[CAS# 570-90-1]

Identification

• Name: (6alpha)-6-Hydroxycholest-4-En-3-One
• Synonyms: 4-Cholesten-6β-ol-3-one
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 570-90-1
• SMILES: CC(C)CCC[C@@H](C)[C@H]3CC[C@H]2[C@@H]4C[C@H](O)\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@@]23C
• 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-FQIKLQBFSA-N

Properties

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