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Home > Encyclopedia > [(2R,3R,4R,5S,6S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-8-(4-methoxybenzoyl)oxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

[(2R,3R,4R,5S,6S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-8-(4-methoxybenzoyl)oxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

[(2R,3R,4R,5S,6S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-8-(4-methoxybenzoyl)oxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate structure

[(2R,3R,4R,5S,6S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-8-(4-methoxybenzoyl)oxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate 

structure
  • CAS No:

    86408-15-3

  • Formula:

    C41H53NO11

  • Chemical Name:

    [(2R,3R,4R,5S,6S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-8-(4-methoxybenzoyl)oxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

  • Synonyms:

    Iwaconitin;Iwaconitine;86408-15-3;Aconitane-8,13,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,8,14-bis(4-methoxybenzoate), (1alpha,6alpha,14alpha,16beta)-

[(2R,3R,4R,5S,6S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-8-(4-methoxybenzoyl)oxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate Basic Attributes

735.9 g/mol

735.36186151 g/mol

Characteristics

131 Ų

Computed Properties

Molecular Weight:735.9
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:14
Exact Mass:735.36186151
Monoisotopic Mass:735.36186151
Topological Polar Surface Area:131
Heavy Atom Count:53
Complexity:1370
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(2R,3R,4R,5S,6S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-8-(4-methoxybenzoyl)oxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

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