6-O-Methylbouvardin
[CAS# 70840-66-3]

Identification

• Name: 6-O-Methylbouvardin
• Synonyms: Nsc305722
• Molecular Formula: C₄₁H₅₀N₆O₁₀
• Molecular Weight: 786.88
• CAS Registry Number: 70840-66-3
• SMILES: N1(C(C3N(C(C(NC(C(N(C(C(C)NC(C(NC(C1CC2=CC(=C(OC)C=C2)OC4=CC=C(C3O)C=C4)=O)C)=O)=O)C)CC5=CC=C(C=C5)OC)=O)C)=O)C)=O)C
• InChI: 1S/C41H50N6O10/c1-22-36(49)43-23(2)39(52)45(4)30(19-25-9-14-28(55-7)15-10-25)38(51)44-24(3)40(53)47(6)34-35(48)27-12-16-29(17-13-27)57-33-21-26(11-18-32(33)56-8)20-31(37(50)42-22)46(5)41(34)54/h9-18,21-24,30-31,34-35,48H,19-20H2,1-8H3,(H,42,50)(H,43,49)(H,44,51)
• InChIKey: BVLKHUDGMCRYQG-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 1116.125°C at 760 mmHg (Cal.)
• Flash point: 628.81°C (Cal.)