(2S)-2beta-(3-Furyl)-6-(beta-D-Glucopyranosyloxy)-5,7,10,11,11aalpha,11b-Hexahydro-11bbeta-Methyl-7beta,10beta-Methano-2H-Pyrano[4,3-g][3]Benzoxepine-4,8(1H,4aalphah)-Dione
[CAS# 66756-59-0]

Identification

• Name: (2S)-2beta-(3-Furyl)-6-(beta-D-Glucopyranosyloxy)-5,7,10,11,11aalpha,11b-Hexahydro-11bbeta-Methyl-7beta,10beta-Methano-2H-Pyrano[4,3-g][3]Benzoxepine-4,8(1H,4aalphah)-Dione
• Molecular Formula: C₂₅H₃₀O₁₁
• Molecular Weight: 506.51
• CAS Registry Number: 66756-59-0
• SMILES: [C@H]13[C@]5([C@H](CC(=C1[C@H]2C[C@H](OC2=O)C3)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C(O[C@@H](C5)C6=COC=C6)=O)C
• InChI: 1S/C25H30O11/c1-25-7-16(10-2-3-32-9-10)34-23(31)14(25)6-15(18-12-4-11(5-13(18)25)33-22(12)30)35-24-21(29)20(28)19(27)17(8-26)36-24/h2-3,9,11-14,16-17,19-21,24,26-29H,4-8H2,1H3/t11-,12+,13+,14+,16-,17+,19+,20-,21+,24+,25-/m0/s1
• InChIKey: KXNADXBKEHOTDP-DRXALLTBSA-N

Properties

• Density: 1.546g/cm³ (Cal.)
• Boiling point: 825.919°C at 760 mmHg (Cal.)
• Flash point: 453.3°C (Cal.)