(3aR,7aalpha,9aalpha)-3,3a,4,4a,6,7,7a,8,9,9alpha-Decahydro-7alpha-[(6-O-Acetyl-beta-D-Glucopyranosyl)Oxy]-4abeta,8alpha-Dimethyl-3-Methyleneazuleno[6,5-b]Furan-2,5-Dione
[CAS# 26836-43-1]

Identification

• Name: (3aR,7aalpha,9aalpha)-3,3a,4,4a,6,7,7a,8,9,9alpha-Decahydro-7alpha-[(6-O-Acetyl-beta-D-Glucopyranosyl)Oxy]-4abeta,8alpha-Dimethyl-3-Methyleneazuleno[6,5-b]Furan-2,5-Dione
• Synonyms: [(2R,3S,4S,5R,6R)-6-[[(3Ar,5R,5As,6S,8As,9Ar)-5,8A-Dimethyl-1-Methylene-2,8-Dioxo-3A,4,5,5A,6,7,9,9A-Octahydroazuleno[6,5-B]Furan-6-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Acetate; Acetic Acid [(2R,3S,4S,5R,6R)-6-[[(3Ar,5R,5As,6S,8As,9Ar)-5,8A-Dimethyl-1-Methylene-2,8-Dioxo-3A,4,5,5A,6,7,9,9A-Octahydroazuleno[6,5-B]Furan-6-Yl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methyl Ester; Acetic Acid [(2R,3S,4S,5R,6R)-6-[[(3Ar,5R,5As,6S,8As,9Ar)-2,8-Diketo-5,8A-Dimethyl-1-Methylene-3A,4,5,5A,6,7,9,9A-Octahydroazuleno[5,6-D]Furan-6-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₂₃H₃₂O₁₀
• Molecular Weight: 468.50
• CAS Registry Number: 26836-43-1
• SMILES: [C@@H]23[C@](C[C@H]1[C@H](OC(=O)C1=C)C[C@H]2C)(C(=O)C[C@@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)COC(=O)C)C
• InChI: 1S/C23H32O10/c1-9-5-13-12(10(2)21(29)31-13)7-23(4)16(25)6-14(17(9)23)32-22-20(28)19(27)18(26)15(33-22)8-30-11(3)24/h9,12-15,17-20,22,26-28H,2,5-8H2,1,3-4H3/t9-,12-,13-,14+,15-,17-,18-,19+,20-,22-,23-/m1/s1
• InChIKey: GUDGKGBWXIZDPA-ZOWPBZTMSA-N

Properties

• Density: 1.381g/cm³ (Cal.)
• Boiling point: 670.282°C at 760 mmHg (Cal.)
• Flash point: 227.741°C (Cal.)