Secalonic acid D
[CAS# 35287-69-5]

Identification

• Name: Secalonic acid D
• Synonyms: Methyl (3S,4R,4aR)-7-[(5R,6S,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
• Molecular Formula: C₃₂H₃₀O₁₄
• Molecular Weight: 638.57
• CAS Registry Number: 35287-69-5
• SMILES: C[C@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@]6([C@@H]([C@H](CC(=O)C6=C5O)C)O)C(=O)OC)O)O[C@]2([C@@H]1O)C(=O)OC)O

Properties

• Density: 1.7±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.726, Calc.^*
• Boiling Point: 869.3±65.0 °C (760 mmHg), Calc.^*
• Flash Point: 281.7±27.8 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.