[(2R,3R,5S,6S,8R,10R,17S)-5,8,14-triacetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
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[(2R,3R,5S,6S,8R,10R,17S)-5,8,14-triacetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
structure -
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CAS No:
82144-74-9
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Formula:
C38H51NO12
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Chemical Name:
[(2R,3R,5S,6S,8R,10R,17S)-5,8,14-triacetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
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Synonyms:
Ludaconitine triacetate;Diacetylindaconitine;Indaconitine diacetate;Indaconitine, diacetyl-;Ludaconitine 3,8,13-triacetate;82144-74-9;Aconitane-3,8,13,14-tetrol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 14-benzoate 3,8,13-triacetate, (1-alpha,3-alpha,6-alpha,14-alpha,16-beta)-
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CAS No:
[(2R,3R,5S,6S,8R,10R,17S)-5,8,14-triacetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate Basic Attributes
713.8 g/mol
713.34112606 g/mol
Computed Properties
Molecular Weight:713.8
XLogP3:2.4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:15
Exact Mass:713.34112606
Monoisotopic Mass:713.34112606
Topological Polar Surface Area:145
Heavy Atom Count:51
Complexity:1400
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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