alpha-Cortol
[CAS# 516-38-1]

Identification

• Name: alpha-Cortol
• Synonyms: .Alpha.-Cortol; 20.Alpha.-Cortol; 3.Alpha.,11.Beta.,17,20.Alpha.,21-Pentahydroxypregnane
• Molecular Formula: C₂₁H₃₆O₅
• Molecular Weight: 368.51
• CAS Registry Number: 516-38-1
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H]([C@H](C1)O)[C@]3(C)[C@H](CC2)C[C@@H](CC3)O)CC[C@@]4([C@H](CO)O)O
• InChI: 1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1
• InChIKey: FFPUNPBUZDTHJI-XPOJVAQCSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 564.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 255.0±24.7°C (Cal.)