(2S)-2-[(3S)-3,8-Dihydroxy-2,2-Dimethylchroman-6-Yl]-5,7-Dihydroxychroman-4-One
[CAS# 106533-44-2]

Identification

• Name: (2S)-2-[(3S)-3,8-Dihydroxy-2,2-Dimethylchroman-6-Yl]-5,7-Dihydroxychroman-4-One
• Synonyms: (2S)-2-[(3S)-3,8-Dihydroxy-2,2-Dimethyl-Chroman-6-Yl]-5,7-Dihydroxy-Chroman-4-One; (2S)-2-[(3S)-3,8-Dihydroxy-2,2-Dimethyl-6-Chromanyl]-5,7-Dihydroxy-4-Chromanone; Sigmoidin D
• Molecular Formula: C₂₀H₂₀O₇
• Molecular Weight: 372.37
• CAS Registry Number: 106533-44-2
• SMILES: [C@@H]2(OC1=CC(=CC(=C1C(=O)C2)O)O)C4=CC(=C3OC([C@@H](O)CC3=C4)(C)C)O
• InChI: 1S/C20H20O7/c1-20(2)17(25)5-10-3-9(4-14(24)19(10)27-20)15-8-13(23)18-12(22)6-11(21)7-16(18)26-15/h3-4,6-7,15,17,21-22,24-25H,5,8H2,1-2H3/t15-,17-/m0/s1
• InChIKey: ASQDBJSRWIDYKK-RDJZCZTQSA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 656.22°C at 760 mmHg (Cal.)
• Flash point: 237.904°C (Cal.)