7-Methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-1,7a-dihydrocyclopenta[c]pyran-5-one
[CAS# 78280-92-9]

Identification

• Name: 7-Methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-1,7a-dihydrocyclopenta[c]pyran-5-one
• Synonyms: 7-Methyl-1-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4A-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-1,7A-Dihydrocyclopenta[C]Pyran-5-One; 7-Methyl-1-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4A-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-1,7A-Dihydrocyclopenta[C]Pyran-5-One; 7-Methyl-1-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-4A-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-1,7A-Dihydrocyclopenta[C]Pyran-5-One
• Molecular Formula: C₂₁H₃₀O₁₃
• Molecular Weight: 490.46
• CAS Registry Number: 78280-92-9
• SMILES: C(C4C(O)C(C(C(OC3C2C(OC1C(C(O)C(C(O1)C)O)O)(C(C=C2C)=O)C=CO3)O4)O)O)O
• InChI: 1S/C21H30O13/c1-7-5-10(23)21(34-20-17(29)14(26)12(24)8(2)31-20)3-4-30-18(11(7)21)33-19-16(28)15(27)13(25)9(6-22)32-19/h3-5,8-9,11-20,22,24-29H,6H2,1-2H3
• InChIKey: WDMQLCVSWBENIY-UHFFFAOYSA-N

Properties

• Density: 1.629g/cm³ (Cal.)
• Boiling point: 779.916°C at 760 mmHg (Cal.)
• Flash point: 269.325°C (Cal.)