Phaseolinisoflavan
[CAS# 40323-57-7]

Identification

• Name: Phaseolinisoflavan
• Synonyms: 6-[(3R)-7-Hydroxychroman-3-Yl]-2,2-Dimethyl-Chromen-5-Ol; 6-[(3R)-7-Hydroxy-3-Chromanyl]-2,2-Dimethyl-5-Chromenol; C10515
• Molecular Formula: C₂₀H₂₀O₄
• Molecular Weight: 324.38
• CAS Registry Number: 40323-57-7
• SMILES: [C@H]3(C1=CC=C2C(=C1O)C=CC(C)(C)O2)CC4=C(OC3)C=C(O)C=C4
• InChI: 1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
• InChIKey: UUJBHSNXZMGYBT-ZDUSSCGKSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 449.774°C at 760 mmHg (Cal.)
• Flash point: 225.816°C (Cal.)