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4-Carboxy-3-methoxy-2,5,6-trimethylphenyl 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoate

4-Carboxy-3-methoxy-2,5,6-trimethylphenyl 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoate structure

CAS No:
71950-67-9
Formula:
C31H34O10
Chemical Name:
4-Carboxy-3-methoxy-2,5,6-trimethylphenyl 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoate
Synonyms:
Benzoic acid,4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethyl-,4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester;4-Carboxy-3-methoxy-2,5,6-trimethylphenyl 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoate;Thielavin B

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4-Carboxy-3-methoxy-2,5,6-trimethylphenyl 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoate Basic Attributes

Molecular Weight：

566.6 g/mol

Exact Mass：

566.60

DSSTox ID：

DTXSID70222237

Characteristics

PSA：

149 Å²

Drug Information

MeSH Entry Terms：

thielavin B

Computed Properties

Molecular Weight:566.6
XLogP3:7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:566.21519728
Monoisotopic Mass:566.21519728
Topological Polar Surface Area:149
Heavy Atom Count:41
Complexity:940
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Carboxy-3-methoxy-2,5,6-trimethylphenyl 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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