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Home > Encyclopedia > (2R,3R,4S,5S,6R,7R,8R,13R,14R,16S,17S,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,14,16-pentol

(2R,3R,4S,5S,6R,7R,8R,13R,14R,16S,17S,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,14,16-pentol

(2R,3R,4S,5S,6R,7R,8R,13R,14R,16S,17S,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,14,16-pentol structure

(2R,3R,4S,5S,6R,7R,8R,13R,14R,16S,17S,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,14,16-pentol 

structure
  • CAS No:

    83704-07-8

  • Formula:

    C24H39NO8

  • Chemical Name:

    (2R,3R,4S,5S,6R,7R,8R,13R,14R,16S,17S,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,14,16-pentol

  • Synonyms:

    Crassicaulidine;3alpha-Hydroxycrassicaulisine;83704-07-8;Aconitane-1,3,8,14,15-pentol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1alpha,3alpha,6alpha,14alpha,15beta,16beta)-

(2R,3R,4S,5S,6R,7R,8R,13R,14R,16S,17S,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,14,16-pentol Basic Attributes

469.6 g/mol

469.26756720 g/mol

Characteristics

132 Ų

Computed Properties

Molecular Weight:469.6
XLogP3:-2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:469.26756720
Monoisotopic Mass:469.26756720
Topological Polar Surface Area:132
Heavy Atom Count:33
Complexity:815
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (2R,3R,4S,5S,6R,7R,8R,13R,14R,16S,17S,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,14,16-pentol

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