Products 862255-64-9

CAS 862255-64-9 is the registry number for Valeriotriate B. Offered by: Biosynth, MedChemExpress. Available pack sizes: 5mg, 1mg, 10mg, 50mg, 25mg, Get quote.

Valeriotriate B
Biosynth, MedChemExpress
  • size: 5mg, 1mg, 10mg, 50mg
  • Variants: 6
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Structural formula: {0} (CAS {1})

[(1S,4aR,6S,7S,7aS)-7-(acetyloxymethyl)-4a,6,7-trihydroxy-1-(3-methylbutanoyloxy)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate (CAS 862255-64-9) is a chemical compound with the molecular formula C27H42O12 and a molecular weight of 558.6 g/mol. IUPAC name: [(1S,4aR,6S,7S,7aS)-7-(acetyloxymethyl)-4a,6,7-trihydroxy-1-(3-methylbutanoyloxy)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate. InChIKey: LUDMVJVLHCEECS-XPVIXRIASA-N.

Identity
Molecular formulaC27H42O12
Molecular weight558.6 g/mol
IUPAC name[(1S,4aR,6S,7S,7aS)-7-(acetyloxymethyl)-4a,6,7-trihydroxy-1-(3-methylbutanoyloxy)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate
InChIKeyLUDMVJVLHCEECS-XPVIXRIASA-N
SMILESCC(C)CC(=O)O[C@H]1[C@H]2[C@](C[C@@H]([C@]2(COC(=O)C)O)O)(C(=CO1)COC(=O)C(C(C)C)OC(=O)CC(C)C)O

Computed by PubChem (NCBI)

Synonyms: valeriotriate B, orb1681179