Thielavin B

• Catalog Number: ACM71950679
• Product Name: Thielavin B
• CAS: 71950-67-9
• Category: Heterocyclic Organic Compound
• Synonyms: 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
• IUPAC Name: 4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid
• Molecular Weight: 566.6
• Molecular Formula: C31H34O10
• Canonical SMILES: CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)OC)C(=O)OC3=C(C(=C(C(=C3C)OC)C(=O)O)C)C)C)C)O)C)O
• InChI Key: UULGWGARYDGVBM-UHFFFAOYSA-N
• Boiling Point: 807.54 °C at 760 mmHg (Predicted)
• Flash Point: 261.1ºC
• Density: 1.276g/cm³
• Appearance: Powder
• Exact Mass: 566.21500
• H-Bond Acceptor: 10
• H-Bond Donor: 3