13,15-dihydroxy-7-[5-hydroxy-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)oxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
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![13,15-dihydroxy-7-[5-hydroxy-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)oxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ef1176c51e7b4f0a90da5b6e87f1380d.png "13,15-dihydroxy-7-[5-hydroxy-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)oxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid")
13,15-dihydroxy-7-[5-hydroxy-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)oxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
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CAS No:
74686-30-9
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Formula:
C40H55NO13
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Chemical Name:
13,15-dihydroxy-7-[5-hydroxy-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)oxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
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Synonyms:
Kaur-16-ene-18,19-dioic acid, 2-((2-deoxy-2-((3-methyl-1-oxobutyl)amino)-3-O-(1-oxo-3-phenylpropyl)-beta-D-glucopyranosyl)oxy)-13,15-dihydroxy-, (2beta)-;wedeliatoxin;wedeloside;Wedeloside;Wedeliatoxin;74686-30-9;Kaur-16-ene-18,19-dioic acid, 2-((2-deoxy-2-((3-methyl-1-oxobutyl)amino)-3-O-(1-oxo-3-phenylpropyl)-beta-D-glucopyranosyl)oxy)-13,15-dihydroxy-, (2beta,15alpha)-;CHEMBL1977201;DTXSID70996204;NSC-345715;2-({2-Deoxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-O-(3-phenylpropanoyl)hexopyranosyl}oxy)-13,15-dihydroxykaur-16-ene-18,19-dioic acid;Kaur-16-ene-18,19-dioic acid, 2-((2-deoxy-2-((3-methyl-1-oxobutyl)amino)-3-O-(1-oxo-3-phenylpropyl)-beta-D-glucopyranosyl)oxy)-13,15-dihydroxy-, (2beta)-
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CAS No:
13,15-dihydroxy-7-[5-hydroxy-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)oxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid Basic Attributes
757.9 g/mol
757.36734081 g/mol
345715
Drug Information
Kaur-16-ene-18,19-dioic acid, 2-((2-deoxy-2-((3-methyl-1-oxobutyl)amino)-3-O-(1-oxo-3-phenylpropyl)-beta-D-glucopyranosyl)oxy)-13,15-dihydroxy-, (2beta)-
Computed Properties
Molecular Weight:757.9
XLogP3:2.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:13
Exact Mass:757.36734081
Monoisotopic Mass:757.36734081
Topological Polar Surface Area:229
Heavy Atom Count:54
Complexity:1450
Undefined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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