(3aS)-3a,4,5,6,6abeta,7,8,9,9abeta,9balpha-Decahydro-8alpha-(beta-D-Glucopyranosyloxy)-3,6,9-Tris(Methylene)Azuleno[4,5-b]Furan-2(3H)-One
[CAS# 57576-33-7]

Identification

• Name: (3aS)-3a,4,5,6,6abeta,7,8,9,9abeta,9balpha-Decahydro-8alpha-(beta-D-Glucopyranosyloxy)-3,6,9-Tris(Methylene)Azuleno[4,5-b]Furan-2(3H)-One
• Synonyms: (3As,6Ar,8S,9Ar,9Bs)-3,6,9-Trimethylene-8-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[5,4-D]Furan-2-One; (3As,6Ar,8S,9Ar,9Bs)-3,6,9-Trimethylene-8-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[5,4-D]Furan-2-One; (3As,6Ar,8S,9Ar,9Bs)-3,6,9-Trimethylene-8-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[5,4-D]Furan-2-One
• Molecular Formula: C₂₁H₂₈O₈
• Molecular Weight: 408.45
• CAS Registry Number: 57576-33-7
• SMILES: [C@@H]23[C@H]1OC(=O)C([C@@H]1CCC([C@@H]2C[C@@H](C3=C)O[C@H]4[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O)=C)=C
• InChI: 1S/C21H28O8/c1-8-4-5-11-9(2)20(26)29-19(11)15-10(3)13(6-12(8)15)27-21-18(25)17(24)16(23)14(7-22)28-21/h11-19,21-25H,1-7H2/t11-,12-,13-,14+,15-,16+,17-,18+,19-,21+/m0/s1
• InChIKey: OIOLZODVFMMERF-GHSWTDDMSA-N

Properties

• Density: 1.386g/cm³ (Cal.)
• Boiling point: 659.939°C at 760 mmHg (Cal.)
• Flash point: 232.083°C (Cal.)