Repanduline
[CAS# 20398-02-1]

Identification

• Name: Repanduline
• Molecular Formula: C₃₇H₃₆N₂O₇
• Molecular Weight: 620.70
• CAS Registry Number: 20398-02-1
• SMILES: [C@@H]79C1=C(C=C(C(=O)C13OC2=CC4=C(C=C2OC3)CCN(C)[C@H]4CC8=CC=C(OC5=CC(=CC6=C5OCO6)C7)C=C8)OC)CCN9C
• InChI: 1S/C37H36N2O7/c1-38-10-8-23-16-29-30-18-26(23)27(38)12-21-4-6-25(7-5-21)45-32-15-22(14-31-35(32)44-20-43-31)13-28-34-24(9-11-39(28)2)17-33(41-3)36(40)37(34,46-30)19-42-29/h4-7,14-18,27-28H,8-13,19-20H2,1-3H3/t27-,28-,37?/m0/s1
• InChIKey: ZJPDWMDHODYSGY-HHYJITEFSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)