(1α,6β,14α,16β)-4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
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![(1α,6β,14α,16β)-4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a5b4b7898d8c432b8f89a3e8f9283298.png "(1α,6β,14α,16β)-4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol")
(1α,6β,14α,16β)-4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
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CAS No:
25867-19-0
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Formula:
C36H48N2O10
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Chemical Name:
(1α,6β,14α,16β)-4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
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Synonyms:
Aconitane-7,8-diol,4-[[[2-(2,5-dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxy-,(1α,6β,14α,16β)-;Lycaconitine;(1α,6β,14α,16β)-4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
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CAS No:
(1α,6β,14α,16β)-4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol Basic Attributes
668.8 g/mol
668.77
Computed Properties
Molecular Weight:668.8
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:668.33089573
Monoisotopic Mass:668.33089573
Topological Polar Surface Area:144
Heavy Atom Count:48
Complexity:1330
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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