Xylomollin
[CAS# 61229-34-3]

Identification

• Name: Xylomollin
• Synonyms: 8-Hydroxy-6-Methoxy-1-Methyl-3-Oxo-4,4A,5,6,8,8A-Hexahydro-1H-Pyrano[5,4-C]Pyran-5-Carboxylic Acid Methyl Ester; 8-Hydroxy-3-Keto-6-Methoxy-1-Methyl-4,4A,5,6,8,8A-Hexahydro-1H-Pyrano[5,4-C]Pyran-5-Carboxylic Acid Methyl Ester; Nsc280415
• Molecular Formula: C₁₂H₁₈O₇
• Molecular Weight: 274.27
• CAS Registry Number: 61229-34-3
• SMILES: CC2C1C(C(C(=O)OC)C(OC1O)OC)CC(O2)=O
• InChI: 1S/C12H18O7/c1-5-8-6(4-7(13)18-5)9(10(14)16-2)12(17-3)19-11(8)15/h5-6,8-9,11-12,15H,4H2,1-3H3
• InChIKey: IYOMTPNHJRSLSB-UHFFFAOYSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 433.115°C at 760 mmHg (Cal.)
• Flash point: 164.069°C (Cal.)