(2R,3R,4S,5S,6R,7R,8R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol
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![(2R,3R,4S,5S,6R,7R,8R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6312f865c7be4c4591c66bbddc70e19b.png "(2R,3R,4S,5S,6R,7R,8R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol")
(2R,3R,4S,5S,6R,7R,8R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol
structure -
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CAS No:
83694-44-4
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Formula:
C24H39NO7
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Chemical Name:
(2R,3R,4S,5S,6R,7R,8R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol
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Synonyms:
crassicaulisine;Crassicaulisine;83694-44-4;Aconitane-1,8,14,15-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1alpha,6alpha,14alpha,15beta,16beta)-
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CAS No:
(2R,3R,4S,5S,6R,7R,8R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol Basic Attributes
453.6 g/mol
453.27265258 g/mol
Computed Properties
Molecular Weight:453.6
XLogP3:-1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:453.27265258
Monoisotopic Mass:453.27265258
Topological Polar Surface Area:112
Heavy Atom Count:32
Complexity:783
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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