Pregomisin
[CAS# 66280-26-0]

Identification

• Name: Pregomisin
• Synonyms: 5-[(2S,3R)-4-(3-Hydroxy-4,5-Dimethoxy-Phenyl)-2,3-Dimethyl-Butyl]-2,3-Dimethoxy-Phenol; Pregomisin
• Molecular Formula: C₂₂H₃₀O₆
• Molecular Weight: 390.48
• CAS Registry Number: 66280-26-0
• SMILES: [C@H](CC1=CC(=C(C(=C1)O)OC)OC)([C@@H](CC2=CC(=C(OC)C(=C2)OC)O)C)C
• InChI: 1S/C22H30O6/c1-13(7-15-9-17(23)21(27-5)19(11-15)25-3)14(2)8-16-10-18(24)22(28-6)20(12-16)26-4/h9-14,23-24H,7-8H2,1-6H3/t13-,14+
• InChIKey: RLRKIWSBYUZHIJ-OKILXGFUSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 545.24°C at 760 mmHg (Cal.)
• Flash point: 283.551°C (Cal.)