Vaccarin (Standard)

cas: 53452-16-7 — see every product listed under this CAS number, including other names

Vaccarin (Standard) (CAS 53452-16-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N1419R-Get quote
cas53452-16-7
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Structural formula: {0} (CAS {1})

Vaccarin is a glycoside and a member of flavonoids.

Source: ChEBI

Identity
Molecular formulaC32H38O19
Molecular weight726.6 g/mol
IUPAC name6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
InChIKeyGYIKGLVKALOGDP-HLEFUGOVSA-N
SMILESC1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)CO)O)O)O)O)O

Computed by PubChem (NCBI)

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