Catharinine
[CAS# 58511-83-4]

Identification

• Name: Catharinine
• Synonyms: Catharinine
• Molecular Formula: C₄₆H₅₆N₄O₁₀
• Molecular Weight: 824.97
• CAS Registry Number: 58511-83-4
• SMILES: C1=C(C(=CC2=C1N(C)C3C(C(=O)OC)(O)C(C5(C4C23CCN4CC=C5)CC)OC(=O)C)C8(C6=C(C7=C([NH]6)C=CC=C7)CCN(CC(C8)CC(=O)CC)C=O)C(=O)OC)OC
• InChI: 1S/C46H56N4O10/c1-8-29(53)21-28-24-45(41(54)58-6,37-31(15-19-49(25-28)26-51)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)57-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(60-27(3)52)46(39,56)42(55)59-7/h10-14,16,22-23,26,28,38-40,47,56H,8-9,15,17-21,24-25H2,1-7H3
• InChIKey: AQXVANXWKSPKMX-UHFFFAOYSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 903.733°C at 760 mmHg (Cal.)
• Flash point: 500.36°C (Cal.)