(3beta)-Chol-5-en-22-yne-3,20-diol
[CAS# 86562-07-4]

Identification

• Name: (3beta)-Chol-5-en-22-yne-3,20-diol
• Synonyms: 20-(1-propynyl)-5-pregnen-3,20-diol; 20-PP-Diol
• Molecular Formula: C₂₄H₃₆O₂
• Molecular Weight: 356.54
• CAS Registry Number: 86562-07-4
• SMILES: C(#C[C@@](O)(C)[C@H]2CC[C@H]1[C@H]3[C@H](CC[C@@]12C)[C@@]4(C(=C/C3)\C[C@@H](O)CC4)C)C
• InChI: 1S/C24H36O2/c1-5-12-24(4,26)21-9-8-19-18-7-6-16-15-17(25)10-13-22(16,2)20(18)11-14-23(19,21)3/h6,17-21,25-26H,7-11,13-15H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-,24-/m0/s1
• InChIKey: DHUMPSYBGWWJTC-OPKHLUCYSA-N

Properties

• Density: 1.105g/cm³ (Cal.)
• Boiling point: 496.221°C at 760 mmHg (Cal.)
• Flash point: 216.707°C (Cal.)