1-O-Vanilloylglucose

cas: 68985-14-8 — see every product listed under this CAS number, including other names

1-O-Vanilloylglucose (CAS 68985-14-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N17058-Get quote
cas68985-14-8
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Structural formula: {0} (CAS {1})

1-O-vanilloyl-beta-D-glucose is an O-acyl carbohydrate that is beta-D-glucose bearing a vanilloyl substituent at position 1. It is functionally related to a 1-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose and a vanillic acid.

Source: ChEBI

Identity
Molecular formulaC14H18O9
Molecular weight330.29 g/mol
IUPAC name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate
InChIKeyYROOZUQRTLHXIO-DIACKHNESA-N
SMILESCOC1=C(C=CC(=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

Computed by PubChem (NCBI)

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