Theogallin

cas: 17365-11-6 — see every product listed under this CAS number, including other names

Theogallin (CAS 17365-11-6) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 10MG. Offered by: GLPBio, Sigma-Aldrich.

brandGLPBio
catalog numberGC61331-1
cas17365-11-6
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 1762.48 Pln
Sigma-Aldrich 10MG 1930.00 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Theogallin is a gallate ester resulting from the formal condensation of gallic acid with the (5R)-hydroxy group of ()-quinic acid (i.e. the hydroxy group on the same side of the cyclohexane ring as the carboxy group). It is a monocarboxylic acid, a tertiary alcohol and a gallate ester. It is functionally related to a (-)-quinic acid and a gallic acid.

Source: ChEBI

Identity
Molecular formulaC14H16O10
Molecular weight344.27 g/mol
IUPAC name(1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
InChIKeyLDPLFHGGZNSKDS-FTBFGRRBSA-N
SMILESC1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O

Computed by PubChem (NCBI)

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