4-[2-[[(4S,6S,8R,13S,16R,17R)-11-ethyl-9-hydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methoxycarbonyl]anilino]-4-oxobutanoic acid
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![4-[2-[[(4S,6S,8R,13S,16R,17R)-11-ethyl-9-hydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methoxycarbonyl]anilino]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b2f0b2e814a540dcaabd21af93f09849.png "4-[2-[[(4S,6S,8R,13S,16R,17R)-11-ethyl-9-hydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methoxycarbonyl]anilino]-4-oxobutanoic acid")
4-[2-[[(4S,6S,8R,13S,16R,17R)-11-ethyl-9-hydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methoxycarbonyl]anilino]-4-oxobutanoic acid
structure -
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CAS No:
83685-21-6
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Formula:
C37H52N2O11
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Chemical Name:
4-[2-[[(4S,6S,8R,13S,16R,17R)-11-ethyl-9-hydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methoxycarbonyl]anilino]-4-oxobutanoic acid
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Synonyms:
Puberaconitidine;83685-21-6;Aconitane-4-methanol, 20-ethyl-7-hydroxy-1,6,8,14,16-pentamethoxy-, alpha-(2-((3-carboxy-1-oxopropyl)amino)benzoate), (1alpha,6beta,14alpha,16beta)-
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CAS No:
4-[2-[[(4S,6S,8R,13S,16R,17R)-11-ethyl-9-hydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methoxycarbonyl]anilino]-4-oxobutanoic acid Basic Attributes
700.8 g/mol
700.35711048 g/mol
Computed Properties
Molecular Weight:700.8
XLogP3:-0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:14
Exact Mass:700.35711048
Monoisotopic Mass:700.35711048
Topological Polar Surface Area:162
Heavy Atom Count:50
Complexity:1330
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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