Dethiosecoemestrin
[CAS# 104799-51-1]

Identification

• Name: Dethiosecoemestrin
• Synonyms: Dethiosecoemestrin
• Molecular Formula: C₂₇H₂₀N₂O₁₀
• Molecular Weight: 532.46
• CAS Registry Number: 104799-51-1
• SMILES: [C@H]14C(=COC=C[C@@H]1OC(C2=CC=C(OC)C(=C2)OC3=CC(=CC=C3O)C=O)=O)C=C5N4C(C(N(C)C5=O)=O)=O
• InChI: 1S/C27H20N2O10/c1-28-24(32)17-10-16-13-37-8-7-20(23(16)29(17)26(34)25(28)33)39-27(35)15-4-6-19(36-2)22(11-15)38-21-9-14(12-30)3-5-18(21)31/h3-13,20,23,31H,1-2H3/t20-,23-/m0/s1
• InChIKey: APGIPIWYVRPJKL-REWPJTCUSA-N

Properties

• Density: 1.588g/cm³ (Cal.)
• Boiling point: 755.095°C at 760 mmHg (Cal.)
• Flash point: 410.467°C (Cal.)