[(2S,3R,4R,5S,6S,7S,8R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
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[(2S,3R,4R,5S,6S,7S,8R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
structure -
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CAS No:
121897-29-8
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Formula:
C35H47NO12
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Chemical Name:
[(2S,3R,4R,5S,6S,7S,8R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
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Synonyms:
Tuberanine;3-Acetylmesaconitine;Mesaconitine 3-acetate;121897-29-8
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CAS No:
[(2S,3R,4R,5S,6S,7S,8R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate Basic Attributes
673.7 g/mol
673.30982593 g/mol
Computed Properties
Molecular Weight:673.7
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:12
Exact Mass:673.30982593
Monoisotopic Mass:673.30982593
Topological Polar Surface Area:160
Heavy Atom Count:48
Complexity:1310
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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