(1α,6β,14α,16β)-4-[[(2-Aminobenzoyl)oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
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![(1α,6β,14α,16β)-4-[[(2-Aminobenzoyl)oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1099d7ce544e4621b827bd57c8f489f8.png "(1α,6β,14α,16β)-4-[[(2-Aminobenzoyl)oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol")
(1α,6β,14α,16β)-4-[[(2-Aminobenzoyl)oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
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CAS No:
22413-78-1
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Formula:
C32H46N2O8
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Chemical Name:
(1α,6β,14α,16β)-4-[[(2-Aminobenzoyl)oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
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Synonyms:
Aconitane-7,8-diol,4-[[(2-aminobenzoyl)oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxy-,(1α,6β,14α,16β)-;Lycoctonine,monoanthranilate (ester);Lycoctonine,anthraniloyl-;(1α,6β,14α,16β)-4-[[(2-Aminobenzoyl)oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol;Anthranoyllycoctonine;O14-Methyldelectine;Monoanthraniloyllycoctonine;Inuline;Anthraniloyllycoctonine;(+)-Anthranoyllycoctonine;Swatinine B;664-22-2;5691-60-1;7614-39-3;36570-70-4;91809-63-1;928844-76-2;1640227-48-0
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CAS No:
(1α,6β,14α,16β)-4-[[(2-Aminobenzoyl)oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol Basic Attributes
586.7 g/mol
586.72
Characteristics
133 Ų
1.1777 (rough estimate)
154-155 °C @ Solvent: Ethanol
LD50 subcutaneous in mouse: 108mg/kg
Computed Properties
Molecular Weight:586.7
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:586.32541643
Monoisotopic Mass:586.32541643
Topological Polar Surface Area:133
Heavy Atom Count:42
Complexity:1080
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(1α,6β,14α,16β)-4-[[(2-Aminobenzoyl)oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
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