(1'alpha)-6',7-Didemethoxy-12-O-Demethyl-6',7-Oxy-12'-O-Methylrodiasine
[CAS# 102571-99-3]

Identification

• Name: (1'alpha)-6',7-Didemethoxy-12-O-Demethyl-6',7-Oxy-12'-O-Methylrodiasine
• Molecular Formula: C₃₆H₃₆N₂O₅
• Molecular Weight: 576.69
• CAS Registry Number: 102571-99-3
• SMILES: [C@H]28C1=C3C(=C(C=C1CCN2C)OC)OC5=C(O3)C=C4[C@@H](N(CCC4=C5)C)CC6=CC(=C(OC)C=C6)C7=C(C=CC(=C7)C8)O
• InChI: 1S/C36H36N2O5/c1-37-11-9-22-17-31-32-19-24(22)27(37)15-21-6-8-30(40-3)26(14-21)25-13-20(5-7-29(25)39)16-28-34-23(10-12-38(28)2)18-33(41-4)35(42-31)36(34)43-32/h5-8,13-14,17-19,27-28,39H,9-12,15-16H2,1-4H3/t27-,28-/m0/s1
• InChIKey: MMGBHVBJOIKWMF-NSOVKSMOSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 710.404°C at 760 mmHg (Cal.)
• Flash point: 383.439°C (Cal.)