alpha-Cortolone
[CAS# 516-42-7]

Identification

• Name: alpha-Cortolone
• Synonyms: .Alpha.-Cortolone; 20.Alpha.-Cortolone; 3.Alpha.,17.Alpha.,20.Alpha.,21-Tetrahydroxy-5.Beta.-Pregnan-11-One
• Molecular Formula: C₂₁H₃₄O₅
• Molecular Weight: 366.50
• CAS Registry Number: 516-42-7
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](C(C1)=O)[C@]3(C)[C@H](CC2)C[C@@H](CC3)O)CC[C@@]4([C@H](CO)O)O
• InChI: 1S/C21H34O5/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/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17+,18-,19+,20+,21+/m1/s1
• InChIKey: JXCOSKURGJMQSG-AZQJGLEESA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 564.1±50.0°C at 760 mmHg (Cal.)
• Flash point: 309.0±26.6°C (Cal.)