(3alpha,9S)-6'-Methoxy-9-[(4-Methyl-2-Quinolinyl)Oxy]-10,11-Dihydrocinchonan
[CAS# 135042-89-6]

Identification

• Name: (3alpha,9S)-6'-Methoxy-9-[(4-Methyl-2-Quinolinyl)Oxy]-10,11-Dihydrocinchonan
• Molecular Formula: C₃₀H₃₃N₃O₂
• Molecular Weight: 467.60
• CAS Registry Number: 135042-89-6
• SMILES: COc1cc2c(cc1)nccc2[C@H](Oc3cc(C)c4ccccc4n3)C6CC5CC[N@@]6C[C@H]5CC
• InChI: 1S/C30H33N3O2/c1-4-20-18-33-14-12-21(20)16-28(33)30(24-11-13-31-26-10-9-22(34-3)17-25(24)26)35-29-15-19(2)23-7-5-6-8-27(23)32-29/h5-11,13,15,17,20-21,28,30H,4,12,14,16,18H2,1-3H3/t20-,21?,28?,30+/m1/s1
• InChIKey: XNLQXNDAUCSSKU-VEDDAEPGSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 632.191°C at 760 mmHg (Cal.)
• Flash point: 336.137°C (Cal.)
• Refractive index: 1.664 (Cal.)