CAS
71949-32-1 Purity
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71949-32-1 Purity
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Thielavin A
CAS
71950-66-8
Catalog Number
ACM71950668
Category
Other Products
Molecular Weight
538.5
Molecular Formula
C29H30O10
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Specification
Synonyms
Thielavin-A, Thielavin A, CID194424, 71950-66-8, 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
IUPAC Name
4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid
Canonical SMILES
CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)O)C(=O)OC3=C(C(=C(C(=C3C)O)C(=O)O)C)C)C)C)O)C)O
InChI Key
MGGMNKJGDSNTKZ-UHFFFAOYSA-N
Boiling Point
849.97 °C at 760 mmHg (Predicted)
Flash Point
281ºC
Density
1.371g/cm³
Exact Mass
538.18400
H-Bond Acceptor
10
H-Bond Donor
5
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