(3R,4S)-6,8-Dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydro-1H-isochromene-7-carboxylic acid
[CAS# 65718-85-6]

Identification

• Name: (3R,4S)-6,8-Dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydro-1H-isochromene-7-carboxylic acid
• Synonyms: (3R,4S)-6,8-Dihydroxy-3,4,5-Trimethyl-1-Oxo-Isochroman-7-Carboxylic Acid; (3R,4S)-6,8-Dihydroxy-3,4,5-Trimethyl-1-Oxo-7-Isochromancarboxylic Acid; (3R,4S)-6,8-Dihydroxy-1-Keto-3,4,5-Trimethyl-Isochroman-7-Carboxylic Acid
• Molecular Formula: C₁₃H₁₄O₆
• Molecular Weight: 266.25
• CAS Registry Number: 65718-85-6
• SMILES: [C@@H]2(C1=C(C(=C(C(=C1C(O[C@@H]2C)=O)O)C(=O)O)O)C)C
• InChI: 1S/C13H14O6/c1-4-6(3)19-13(18)8-7(4)5(2)10(14)9(11(8)15)12(16)17/h4,6,14-15H,1-3H3,(H,16,17)/t4-,6-/m1/s1
• InChIKey: VVVMDYGNIVXIIG-INEUFUBQSA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 506.581°C at 760 mmHg (Cal.)
• Flash point: 196.633°C (Cal.)