4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid
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![4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0c7eda67ea5f4cab9702b5d0b250c774.png "4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid")
4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid
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CAS No:
71950-66-8
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Formula:
C29H30O10
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Chemical Name:
4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid
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Synonyms:
thielavin A;thielavin-A;Thielavin A;71950-66-8;4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid;Thielavin-A;DTXSID10222236;ZINC3647706;Benzoic acid,4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,5,6-trimethyl-,4-carboxy-3-hydroxy-2,5,6-trimethylphenyl ester;Benzoic acid, 4-((2,4-dihydroxy-3,6-dimethylbenzoyl)oxy)-2-hydroxy-3,5,6-trimethyl-, 4-carboxy-3-hydroxy-2,5,6-trimethylphenyl ester
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CAS No:
4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid Basic Attributes
538.5 g/mol
538.18389715 g/mol
DTXSID10222236
Computed Properties
Molecular Weight:538.5
XLogP3:7.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:538.18389715
Monoisotopic Mass:538.18389715
Topological Polar Surface Area:171
Heavy Atom Count:39
Complexity:909
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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