(5beta)-Cholane
[CAS# 80373-86-0]

Identification

• Name: (5beta)-Cholane
• Synonyms: 5β(H)-CHOLANE; 5β-cholane; CHEBI:20664
• Molecular Formula: C₂₄H₄₂
• Molecular Weight: 330.59
• CAS Registry Number: 80373-86-0
• SMILES: [C@H]41CCCC[C@@]1([C@@H]3[C@H]([C@@H]2CC[C@@H]([C@@]2(C)CC3)[C@H](C)CCC)CC4)C
• InChI: 1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
• InChIKey: QSHQKIURKJITMZ-OBUPQJQESA-N

Properties

• Density: 0.92g/cm³ (Cal.)
• Boiling point: 402.696°C at 760 mmHg (Cal.)
• Flash point: 187.415°C (Cal.)