(1alpha,10alpha,13alpha,14alpha,16beta,17xi)-20-Ethyl-8,9-Dihydroxy-1,14,16-Trimethoxyaconitan-4-Yl 2-Aminobenzoate
[CAS# 11033-64-0]

Identification

• Name: (1alpha,10alpha,13alpha,14alpha,16beta,17xi)-20-Ethyl-8,9-Dihydroxy-1,14,16-Trimethoxyaconitan-4-Yl 2-Aminobenzoate
• Synonyms: 4-Anthraniloyllappaconine; Lappaconine, 4-(2-aminobenzoate); Lappaconitine, deacetyl-
• Molecular Formula: C₃₀H₄₂N₂O₇
• Molecular Weight: 542.66
• CAS Registry Number: 11033-64-0
• SMILES: O=C(O[C@@]16[C@@H]5C4(C(N(CC)C1)C([C@]2(O)[C@@]3(O)[C@@H](OC)[C@H]([C@@H](OC)C2)C[C@@H]34)C5)[C@@H](OC)CC6)c7ccccc7N
• InChI: 1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18?,20-,21+,22+,23-,24?,25-,27+,28-,29?,30-/m0/s1
• InChIKey: VSUODASNSRJNCP-JUSZRDHWSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 650.911°C at 760 mmHg (Cal.)
• Flash point: 347.459°C (Cal.)
• Refractive index: 1.636 (Cal.)