4-[(1E)-3-[(3S)-4-Carboxy-3-(β-D-glucopyranosyloxy)-3-methyl-1-oxobutoxy]-1-propen-1-yl]-2,6-dimethoxyphenyl β-D-glucopyranoside

cas: 117278-74-7 — see every product listed under this CAS number, including other names

4-[(1E)-3-[(3S)-4-Carboxy-3-(β-D-glucopyranosyloxy)-3-methyl-1-oxobutoxy]-1-propen-1-yl]-2,6-dimethoxyphenyl β-D-glucopyranoside (CAS 117278-74-7) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

brandChemat
catalog numberCh110V2M-5mg
cas117278-74-7
size5mg
availability 0.01g
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Chemat 5mg 1773.20 Pln

properties

delivery time3 weeks
Structural formula: {0} (CAS {1})

(3S)-5-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid (CAS 117278-74-7) is a chemical compound with the molecular formula C29H42O18 and a molecular weight of 678.6 g/mol. IUPAC name: (3S)-5-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid. InChIKey: ABKPQICIFGNRAA-FPFGLZQYSA-N.

Identity
Molecular formulaC29H42O18
Molecular weight678.6 g/mol
IUPAC name(3S)-5-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
InChIKeyABKPQICIFGNRAA-FPFGLZQYSA-N
SMILESC[C@](CC(=O)O)(CC(=O)OC/C=C/C1=CC(=C(C(=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Tangshenoside I, orb2943136

Also listed as

Tangshenoside I Biosynth CAS 117278-74-7
Tangshenoside I, 99.02% MedChemExpress CAS 117278-74-7