Scopolin (Standard)

cas: 531-44-2 — see every product listed under this CAS number, including other names

Scopolin (Standard) (CAS 531-44-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N0341R-Get quote
cas531-44-2
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properties

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Structural formula: {0} (CAS {1})

Scopolin is a member of the class of coumarins that is scopoletin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a beta-D-glucoside, a member of coumarins and a monosaccharide derivative. It is functionally related to a scopoletin.

Source: ChEBI

Identity
Molecular formulaC16H18O9
Molecular weight354.31 g/mol
IUPAC name6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChIKeySGTCGCCQZOUMJJ-YMILTQATSA-N
SMILESCOC1=C(C=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed by PubChem (NCBI)

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