Products 17365-11-6

CAS 17365-11-6 appears in our catalog under these names: Theogallin, Theogallin, 99.93%, Theogallin (Standard), Theogallin, 98%. Offered by: GLPBio, MedChemExpress, Chemat, Sigma-Aldrich. Available pack sizes: 1mg, 5 mg, 10 mg, 1 mg, Get quote, 5mg, 10mg.

Theogallin
GLPBio, Sigma-Aldrich
  • size: 1mg, 10MG
  • Variants: 2
from 1762.48
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Theogallin, 99.93%
MedChemExpress
  • size: 5 mg, 10 mg, 1 mg
  • Variants: 3
from 1559.64
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Theogallin (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Theogallin, 98%
Chemat
  • size: 5mg, 10mg
  • Variants: 2
from 3314.00
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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)

Synonyms: Theogallin, 3-Galloylquinic acid, 3-O-Galloylquinic acid, Gallotannin 20, 3-Galloyl quinate, Quinic acid, 3-gallate, 3-O-Galloyl quinic acid, Theogallin (Standard), orb1708369, orb3139190
Related forms of this compound
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid C14H16O10
Isomers (same molecular formula)
trans-(3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid C14H16O10