Austdiol
[CAS# 53043-28-0]

Identification

• Name: Austdiol
• Synonyms: (7R,8S)-7,8-Dihydroxy-3,7-Dimethyl-6-Oxo-8H-Isochromene-5-Carboxaldehyde; (7R,8S)-7,8-Dihydroxy-6-Keto-3,7-Dimethyl-8H-Isochromene-5-Carbaldehyde; Nci60_001176
• Molecular Formula: C₁₂H₁₂O₅
• Molecular Weight: 236.22
• CAS Registry Number: 53043-28-0
• SMILES: [C@@]2(C(C(=C1C(=COC(=C1)C)[C@@H]2O)C=O)=O)(C)O
• InChI: 1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1
• InChIKey: QVMUHZHZYCDMAI-RYUDHWBXSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 442.978°C at 760 mmHg (Cal.)
• Flash point: 175.123°C (Cal.)