[(2R,3R,5R,6S,8R,10R,17S)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide
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![[(2R,3R,5R,6S,8R,10R,17S)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/520b85b6a4144d1e885fa6ae358aac6b.png "[(2R,3R,5R,6S,8R,10R,17S)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide")
[(2R,3R,5R,6S,8R,10R,17S)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide
structure -
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CAS No:
71425-64-4
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Formula:
C33H46BrNO11
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Chemical Name:
[(2R,3R,5R,6S,8R,10R,17S)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide
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Synonyms:
Mesaconitine hydrobromide;71425-64-4;Aconitane-3,8,13,14,15-pentol, 4-(methoxymethyl)-20-methyl-1,6,16-trimethoxy-, 8-acetate 14-benzoate, hydrobromide, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
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CAS No:
[(2R,3R,5R,6S,8R,10R,17S)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide Basic Attributes
712.6 g/mol
711.22542 g/mol
Computed Properties
Molecular Weight:712.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:711.22542
Monoisotopic Mass:711.22542
Topological Polar Surface Area:155
Heavy Atom Count:46
Complexity:1200
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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