6'-O-Cinnamoyl-8-epikingisidic acid

cas: 1403984-03-1 — see every product listed under this CAS number, including other names

6'-O-Cinnamoyl-8-epikingisidic acid (CAS 1403984-03-1) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 25mg, 10mg. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N2721-5mg
cas1403984-03-1
size5mg
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Structural formula: {0} (CAS {1})

(1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid (CAS 1403984-03-1) is a chemical compound with the molecular formula C25H28O12 and a molecular weight of 520.5 g/mol. IUPAC name: (1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid. InChIKey: XPUDIJARFNUSHK-YAXUBKDVSA-N.

Identity
Molecular formulaC25H28O12
Molecular weight520.5 g/mol
IUPAC name(1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid
InChIKeyXPUDIJARFNUSHK-YAXUBKDVSA-N
SMILESC[C@@H]1[C@@H]2[C@H](CC(=O)O1)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=CC=C4)O)O)O)C(=O)O

Computed by PubChem (NCBI)

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