1-[3-[3,4-Dihydroxy-4-(Hydroxymethyl)Oxolan-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-7-Hydroxy-7-Methyl-4a,5,6,7a-Tetrahydro-1H-Cyclopenta[d]Pyran-4-Carboxylic Acid
[CAS# 155656-95-4]

Identification

• Name: 1-[3-[3,4-Dihydroxy-4-(Hydroxymethyl)Oxolan-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-7-Hydroxy-7-Methyl-4a,5,6,7a-Tetrahydro-1H-Cyclopenta[d]Pyran-4-Carboxylic Acid
• Synonyms: 1-[3-[3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-7-Hydroxy-7-Methyl-4A,5,6,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylic Acid; 1-[[3-[[3,4-Dihydroxy-4-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-7-Hydroxy-7-Methyl-4A,5,6,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylic Acid; 1-[3-(3,4-Dihydroxy-4-Methylol-Tetrahydrofuran-2-Yl)Oxy-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-7-Hydroxy-7-Methyl-4A,5,6,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylic Acid
• Molecular Formula: C₂₁H₃₂O₁₄
• Molecular Weight: 508.48
• CAS Registry Number: 155656-95-4
• SMILES: C(C4(C(C(OC3C(OC1OC=C(C2C1C(O)(C)CC2)C(=O)O)OC(C(O)C3O)CO)OC4)O)O)O
• InChI: 1S/C21H32O14/c1-20(29)3-2-8-9(16(27)28)5-31-17(11(8)20)35-18-14(13(25)12(24)10(4-22)33-18)34-19-15(26)21(30,6-23)7-32-19/h5,8,10-15,17-19,22-26,29-30H,2-4,6-7H2,1H3,(H,27,28)
• InChIKey: AMVJBPWDFCUNOH-UHFFFAOYSA-N

Properties

• Density: 1.672g/cm³ (Cal.)
• Boiling point: 811.743°C at 760 mmHg (Cal.)
• Flash point: 278.588°C (Cal.)