Diosgenone
[CAS# 2137-22-6]

Identification

• Name: Diosgenone
• Molecular Formula: C₂₇H₃₈O₃
• Molecular Weight: 410.60
• CAS Registry Number: 2137-22-6
• SMILES: [C@@H]34C[C@H]1[C@H]([C@@H]([C@]2(O1)CC[C@H](CO2)C)C)[C@]3(CC[C@H]5[C@H]4CCC6=CC(C=C[C@]56C)=O)C
• InChI: 1S/C27H38O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h8,10,13,16-17,20-24H,5-7,9,11-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
• InChIKey: QEGQIJLALWETNE-CLGLNXEMSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 532.134°C at 760 mmHg (Cal.)
• Flash point: 268.184°C (Cal.)