3,7,12,25-Tetrahydroxycholestan-24-One
[CAS# 82280-61-3]

Identification

• Name: 3,7,12,25-Tetrahydroxycholestan-24-One
• Synonyms: 3,7,12,25-Thcho; 3,7,12,25-Tetrahydroxycholestan-24-One; 3Alpha,7Alpha,12Alpha,25-Tetrahydroxy-5Beta-Cholestan-24-One
• Molecular Formula: C₂₇H₄₆O₅
• Molecular Weight: 450.66
• CAS Registry Number: 82280-61-3
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)C[C@H]([C@H]4[C@@H]2CC[C@H]([C@@H](CCC(C(C)(C)O)=O)C)[C@@]2(C)[C@H](C[C@H]34)O)O)C)O
• InChI: 1S/C27H46O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-21,23-24,28-29,31-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,23+,24+,26+,27-/m1/s1
• InChIKey: CFVCOEMVLNMDAX-LIIZXMBISA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 593.795°C at 760 mmHg (Cal.)
• Flash point: 326.948°C (Cal.)