(1S,4aR,8R,8aR)-1-Methyl-3-oxo-8-((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(((E)-3-phenylprop-2-enoyl)oxymethyl)oxan-2-yl)oxy-4,4a,8,8a-t etrahydro-1H-pyrano(3,4-c)pyran-5-carboxylic acid

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

(1S,4aR,8R,8aR)-1-Methyl-3-oxo-8-((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(((E)-3-phenylprop-2-enoyl)oxymethyl)oxan-2-yl)oxy-4,4a,8,8a-t etrahydro-1H-pyrano(3,4-c)pyran-5-carboxylic acid (CAS 1403984-03-1) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 1mg, 10mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberDGC98403-5mg
cas1403984-03-1
size5mg
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properties

categoryCarbohydrates
sub-category 1Detergents
purityNo data
delivery time3-4 Weeks
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)

Synonyms: 6'-O-Cinnamoyl-8-epikingisidic acid, 6'-O-trans-Cinnamoyl 8-epikingisidic acid, 6/'-O-Cinnamoyl-8-epikingisidic acid, orb1683375, 6'-O-trans-cinnamoyl-8-epikingisidic acid
Isomers (same molecular formula)
[(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl 3-(4-hydroxyphenyl)propanoate C25H28O12
2-(2,5-dimethoxyphenyl)-7,8-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C25H28O12
1,2,3,8-tetramethoxy-6-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione C25H28O12

Also listed as

6'-O-Cinnamoyl-8-epikingisidic acid, ≥98%, ≥98% Chemat CAS 1403984-03-1
6'-O-Cinnamoyl-8-epikingisidic acid MedChemExpress CAS 1403984-03-1