Products 531-44-2

CAS 531-44-2 appears in our catalog under these names: Scopolin, Scopoletin 7-O-Glucoside, >95% (HPLC), Scopolin/ 99.87% (existing batch purity), Scopolin 98%, Scopolin (Standard). Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: on request, 100mg, 10mg, 20mg, 25mg, 5mg, 10mM (in 1ml dmso), 50mg.

Scopolin
Chemat Brand, GLPBio, Biosynth
  • size: on request, 10mg, 25mg, 5mg
  • Variants: 10
from 550.23
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Scopoletin 7-O-Glucoside, >95% (HPLC)
TRC
  • size: 100mg, 10mg
  • Variants: 2
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Scopolin/ 99.87% (existing batch purity)
TargetMol
  • size: 20mg
  • Variants: 1
from 890.92
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Scopolin 98%
Ambeed
  • size: 25mg, 50mg, 100mg
  • Variants: 3
from 676.31
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Scopolin (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Scopolin, 99.93%
MedChemExpress
  • size: 10 mg, 10mM/1mL, 25 mg, 5 mg
  • Variants: 4
from 551.89
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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)

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)
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