(6aS,11bR)-6a,11b-Dihydro-5,6a,9-Trihydroxy-2,2-Dimethyl-11B-(3-Methyl-2-Butenyl)-2H,6H-Benzofuro(3,2-b)Pyrano(3,2-g)(1)Benzopyran-6-One
[CAS# 76464-71-6]

Identification

• Name: (6aS,11bR)-6a,11b-Dihydro-5,6a,9-Trihydroxy-2,2-Dimethyl-11B-(3-Methyl-2-Butenyl)-2H,6H-Benzofuro(3,2-b)Pyrano(3,2-g)(1)Benzopyran-6-One
• Molecular Formula: C₂₅H₂₄O₇
• Molecular Weight: 436.46
• CAS Registry Number: 76464-71-6
• SMILES: [C@@]23(OC1=CC5=C(C(=C1C(=O)[C@]2(OC4=CC(=CC=C34)O)O)O)C=CC(O5)(C)C)CC=C(C)C
• InChI: 1S/C25H24O7/c1-13(2)7-10-24-16-6-5-14(26)11-18(16)32-25(24,29)22(28)20-19(31-24)12-17-15(21(20)27)8-9-23(3,4)30-17/h5-9,11-12,26-27,29H,10H2,1-4H3/t24-,25-/m1/s1
• InChIKey: WDKDKBZGSVJWSD-JWQCQUIFSA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 668.836°C at 760 mmHg (Cal.)
• Flash point: 231.64°C (Cal.)