Thielavin B

4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid

Also Known As: Thielavin B|Thielavin-B|thielavinB|Metahexes trol|HY-N10226|BS-1540|Thielavin B, >=95% (LC/MS-UV)|4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid|4-((4-((2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy)-2-methoxy-3,5,6-trimethylbenzoyl)oxy)-2-methoxy-3,5,6-trimethylbenzoic acid|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-({4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoyl}oxy)-2-methoxy-3,5,6-trimethylbenzoic acid|4-(4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoic acid|4-[(2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoic acid 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester|4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoyloxy]-2-methoxy-3,5,6-trimethylbenzoic acid|4-Carboxy-3-methoxy-2,5,6-trimethylphenyl 4-((2,4-dihydroxy-3,6-dimethylbenzoyl)oxy)-2-methoxy-3,5,6-trimethylbenzoate|Metahexes trol, Thielavin B, Thielavin-B, MolPort-005-944-146, CID155686, NP-006741, 71950-67-9, 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

Molecular Formula	C31H34O10
Molecular Weight	566.2152 g/mol
LogP	7.0
Topological Polar Surface Area	149.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	566.2152
Monoisotopic Mass	566.2152
Heavy Atoms	41
Complexity	940.0

Chemical Identifiers

CAS Number	71950-67-9
SMILES	CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)OC)C)O)C)O
InChIKey	UULGWGARYDGVBM-UHFFFAOYSA-N