Products 823182-23-6

CAS 823182-23-6 is the registry number for Breyniaionoside A. Offered by: Biosynth, MedChemExpress. Available pack sizes: 1mg, 10mg, 5mg, 25mg, 50mg, Get quote.

Breyniaionoside A
Biosynth, MedChemExpress
  • size: 1mg, 10mg, 5mg, 25mg
  • Variants: 6
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Structural formula: {0} (CAS {1})

Cis-(4S,5R)-4-hydroxy-4-[(E)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one (CAS 823182-23-6) is a chemical compound with the molecular formula C19H32O9 and a molecular weight of 404.5 g/mol. IUPAC name: cis-(4S,5R)-4-hydroxy-4-[(E)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one. InChIKey: JTIZGDFRGKUHKK-XUQLTRDPSA-N.

Identity
Molecular formulaC19H32O9
Molecular weight404.5 g/mol
IUPAC namecis-(4S,5R)-4-hydroxy-4-[(E)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
InChIKeyJTIZGDFRGKUHKK-XUQLTRDPSA-N
SMILESC[C@@H]1CC(=O)CC([C@]1(/C=C/C(CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(C)C

Computed by PubChem (NCBI)

Synonyms: Breyniaionoside A, orb1683045
Isomers (same molecular formula)
(E)-4-[(1S,2S,4S)-1,2-dihydroxy-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]but-3-en-2-one C19H32O9