1-[3-[3,4-Dihydroxy-4-[[(E)-8-Hydroxy-2,6-Dimethyloct-2-Enoyl]Oxymethyl]Oxolan-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-6-Hydroxy-7-Methylidene-4a,5,6,7a-Tetrahydro-1H-Cyclopenta[d]Pyran-4-Carboxylic Acid
[CAS# 160492-62-6]

Identification

• Name: 1-[3-[3,4-Dihydroxy-4-[[(E)-8-Hydroxy-2,6-Dimethyloct-2-Enoyl]Oxymethyl]Oxolan-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-6-Hydroxy-7-Methylidene-4a,5,6,7a-Tetrahydro-1H-Cyclopenta[d]Pyran-4-Carboxylic Acid
• Synonyms: 1-[3-[3,4-Dihydroxy-4-[[(E)-8-Hydroxy-2,6-Dimethyl-Oct-2-Enoyl]Oxymethyl]Tetrahydrofuran-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-6-Hydroxy-7-Methylene-4A,5,6,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylic Acid; 1-[[3-[[3,4-Dihydroxy-4-[[(E)-8-Hydroxy-2,6-Dimethyl-1-Oxooct-2-Enoxy]Methyl]-2-Tetrahydrofuranyl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-6-Hydroxy-7-Methylene-4A,5,6,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylic Acid; 1-[3-[3,4-Dihydroxy-4-[[(E)-8-Hydroxy-2,6-Dimethyl-Oct-2-Enoyl]Oxymethyl]Tetrahydrofuran-2-Yl]Oxy-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-6-Hydroxy-7-Methylene-4A,5,6,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylic Acid
• Molecular Formula: C₃₁H₄₆O₁₆
• Molecular Weight: 674.69
• CAS Registry Number: 160492-62-6
• SMILES: C(OC(=O)C(=C/CCC(CCO)C)/C)C4(O)C(O)C(OC3C(OC1OC=C(C2C1C(C(O)C2)=C)C(=O)O)OC(C(O)C3O)CO)OC4
• InChI: 1S/C31H46O16/c1-14(7-8-32)5-4-6-15(2)27(40)43-12-31(41)13-44-30(25(31)37)46-24-23(36)22(35)20(10-33)45-29(24)47-28-21-16(3)19(34)9-17(21)18(11-42-28)26(38)39/h6,11,14,17,19-25,28-30,32-37,41H,3-5,7-10,12-13H2,1-2H3,(H,38,39)/b15-6+
• InChIKey: DXKBUDRBDSPMIW-GIDUJCDVSA-N

Properties

• Density: 1.478g/cm³ (Cal.)
• Boiling point: 894.831°C at 760 mmHg (Cal.)
• Flash point: 281.887°C (Cal.)