(5aR,9aS)-5A,6,7,8,9,9A-Hexahydro-2,3-Oxanthrenediol
[CAS# 515836-49-4]

Identification

• Name: (5aR,9aS)-5A,6,7,8,9,9A-Hexahydro-2,3-Oxanthrenediol
• Synonyms: (5aR,9aS)-5a,6,7,8,9,9a-hexahydrodibenzo[b,e][1,4]dioxine-2,3-diol
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• CAS Registry Number: 515836-49-4
• SMILES: Oc1cc2O[C@@H]3CCCC[C@@H]3Oc2cc1O
• InChI: 1S/C12H14O4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h5-6,9-10,13-14H,1-4H2/t9-,10+
• InChIKey: ISCFBKFVMVXAPJ-AOOOYVTPSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 414.853°C at 760 mmHg (Cal.)
• Flash point: 204.696°C (Cal.)
• Refractive index: 1.601 (Cal.)