Bouvardin
[CAS# 64755-14-2]

Identification

• Name: Bouvardin
• Synonyms: Aids-032099; Aids032099; Brn 6045458
• Molecular Formula: C₄₀H₄₈N₆O₁₀
• Molecular Weight: 772.85
• CAS Registry Number: 64755-14-2
• SMILES: N1(C(=O)[C@@H]3N(C(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1CC2=CC(=C(O)C=C2)OC4=CC=C(C3O)C=C4)C)C)C)CC5=CC=C(OC)C=C5)C)C)C
• InChI: 1S/C40H48N6O10/c1-21-35(49)42-22(2)38(52)44(4)29(18-24-8-13-27(55-7)14-9-24)37(51)43-23(3)39(53)46(6)33-34(48)26-11-15-28(16-12-26)56-32-20-25(10-17-31(32)47)19-30(36(50)41-21)45(5)40(33)54/h8-17,20-23,29-30,33-34,47-48H,18-19H2,1-7H3,(H,41,50)(H,42,49)(H,43,51)/t21-,22-,23+,29-,30+,33+,34?/m0/s1
• InChIKey: TWOWSRSKGJSZHZ-ZRCCEHQSSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 1121.306°C at 760 mmHg (Cal.)
• Flash point: 631.943°C (Cal.)