Products 117229-54-6

CAS 117229-54-6 is the registry number for Taxacin. Offered by: Biosynth, MedChemExpress. Available pack sizes: 25mg, 10mg, 50mg, Get quote.

Taxacin
Biosynth, MedChemExpress
  • size: 25mg, 10mg, 50mg, Get quote
  • Variants: 4
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Structural formula: {0} (CAS {1})

[(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-1,15-dimethyl-9-methylidene-14-oxo-8-[(E)-3-phenylprop-2-enoyl]oxy-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate (CAS 117229-54-6) is a chemical compound with the molecular formula C44H48O15 and a molecular weight of 816.8 g/mol. IUPAC name: [(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-1,15-dimethyl-9-methylidene-14-oxo-8-[(E)-3-phenylprop-2-enoyl]oxy-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate. InChIKey: QSCIDKJZGZYKSP-KCCIQLONSA-N.

Identity
Molecular formulaC44H48O15
Molecular weight816.8 g/mol
IUPAC name[(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-1,15-dimethyl-9-methylidene-14-oxo-8-[(E)-3-phenylprop-2-enoyl]oxy-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate
InChIKeyQSCIDKJZGZYKSP-KCCIQLONSA-N
SMILESCC(=O)O[C@H]1C[C@@H](C(=C)[C@@H]2[C@@]1([C@H]([C@@H]([C@@]3([C@]4(CO[C@@]3(C(=O)C[C@H]4[C@H]2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)OC(=O)/C=C/C6=CC=CC=C6

Computed by PubChem (NCBI)

Synonyms: Taxacin, orb1681605