[(2S,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-ethyl-4,8,9-trihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate
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![[(2S,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-ethyl-4,8,9-trihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ada4e65661eb4acdbf1b511c69833fe8.png "[(2S,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-ethyl-4,8,9-trihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate")
[(2S,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-ethyl-4,8,9-trihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate
structure -
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CAS No:
63596-61-2
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Formula:
C33H46N2O9
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Chemical Name:
[(2S,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-ethyl-4,8,9-trihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate
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Synonyms:
N-Acetyldelectine;14-Deacetylajadine;14-Demethylajacine;63596-61-2
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CAS No:
[(2S,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-ethyl-4,8,9-trihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate Basic Attributes
614.7 g/mol
614.32033105 g/mol
Computed Properties
Molecular Weight:614.7
XLogP3:0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:614.32033105
Monoisotopic Mass:614.32033105
Topological Polar Surface Area:147
Heavy Atom Count:44
Complexity:1170
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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