(2R)-5,7-Dihydroxy-2-[8-Hydroxy-2,2-Dimethyl-7-(3-Methylbut-2-Enyl)Chromen-6-Yl]Chroman-4-One
[CAS# 126005-97-8]

Identification

• Name: (2R)-5,7-Dihydroxy-2-[8-Hydroxy-2,2-Dimethyl-7-(3-Methylbut-2-Enyl)Chromen-6-Yl]Chroman-4-One
• Synonyms: (2R)-5,7-Dihydroxy-2-[8-Hydroxy-2,2-Dimethyl-7-(3-Methylbut-2-Enyl)-6-Chromenyl]-4-Chromanone; (2,6'-Bi-2H-1-Benzopyran)-4(3H)-One, 5,7,8'-Trihydroxy-2',2'-Dimethyl-7'-(3-Methyl-2-Butenyl)-, (R)-; Sigmoidin F
• Molecular Formula: C₂₅H₂₆O₆
• Molecular Weight: 422.48
• CAS Registry Number: 126005-97-8
• SMILES: [C@H]2(OC1=CC(=CC(=C1C(=O)C2)O)O)C4=C(C(=C3OC(C=CC3=C4)(C)C)O)CC=C(C)C
• InChI: 1S/C25H26O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)20-12-19(28)22-18(27)10-15(26)11-21(22)30-20/h5,7-11,20,26-27,29H,6,12H2,1-4H3/t20-/m1/s1
• InChIKey: WPVMLODCRMLWMB-HXUWFJFHSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 630.226°C at 760 mmHg (Cal.)
• Flash point: 215.843°C (Cal.)