6-Methoxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one, 98%

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

6-Methoxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one, 98% (CAS 531-44-2) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 50mg, 100mg. Offered by: BLDpharm.

• 2D
• 3D

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 formula	C16H18O9
Molecular weight	354.31 g/mol
IUPAC name	6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChIKey	SGTCGCCQZOUMJJ-YMILTQATSA-N
SMILES	COC1=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)

Synonyms: Scopolin, Scopoloside, Scopoletin 7-glucoside, 6-methoxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside, 2H-1-Benzopyran-2-one, 7-(beta-D-glucopyranosyloxy)-6-methoxy-, Murrayin, Scopoletin 7-O-Glucoside, 7beta-D-Glucopyranosyloxy-6-methoxycumarin, scopoletin-glucoside, Scopolin (Standard)

Related forms of this compound

6-methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C₁₆H₁₈O₉

Isomers (same molecular formula)

trans-(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid C₁₆H₁₈O₉

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C₁₆H₁₈O₉

trans-(3R,5R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid C₁₆H₁₈O₉

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C₁₆H₁₈O₉

bis(3,5-dihydroxy-4-methylbenzoic acid);hydrate C₁₆H₁₈O₉

(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C₁₆H₁₈O₉

5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C₁₆H₁₈O₉

5-hydroxy-2-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C₁₆H₁₈O₉

7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C₁₆H₁₈O₉

5,7-dihydroxy-2-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C₁₆H₁₈O₉

4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid C₁₆H₁₈O₉