1-[3-[3,4-Dihydroxy-4-[(4-Hydroxybenzoyl)Oxymethyl]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# 160492-63-7]

Identification

• Name: 1-[3-[3,4-Dihydroxy-4-[(4-Hydroxybenzoyl)Oxymethyl]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-[(4-Hydroxybenzoyl)Oxymethyl]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-[[(4-Hydroxyphenyl)-Oxomethoxy]Methyl]-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-[(4-Hydroxybenzoyl)Oxymethyl]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: C₂₈H₃₆O₁₆
• Molecular Weight: 628.58
• CAS Registry Number: 160492-63-7
• SMILES: C5=C(C(OCC4(C(C(OC3C(OC1OC=C(C2C1C(O)(C)CC2)C(=O)O)OC(C(O)C3O)CO)OC4)O)O)=O)C=CC(=C5)O
• InChI: 1S/C28H36O16/c1-27(37)7-6-14-15(22(34)35)9-39-24(17(14)27)44-25-20(19(32)18(31)16(8-29)42-25)43-26-21(33)28(38,11-41-26)10-40-23(36)12-2-4-13(30)5-3-12/h2-5,9,14,16-21,24-26,29-33,37-38H,6-8,10-11H2,1H3,(H,34,35)
• InChIKey: CFEHXHKHKXLAMI-UHFFFAOYSA-N

Properties

• Density: 1.651g/cm³ (Cal.)
• Boiling point: 902.101°C at 760 mmHg (Cal.)
• Flash point: 294.293°C (Cal.)