Products 1456598-64-3

CAS 1456598-64-3 appears in our catalog under these names: 2'-o-Benzoylpaeoniflorin, 2′-O-Benzoylpaeoniflorin. Offered by: Biosynth, MedChemExpress. Available pack sizes: 10mg, 5mg, 25mg, 50mg, Get quote.

2'-o-Benzoylpaeoniflorin
Biosynth
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 4
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2′-O-Benzoylpaeoniflorin
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

[3-[3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate (CAS 1456598-64-3) is a chemical compound with the molecular formula C30H32O12 and a molecular weight of 584.6 g/mol. IUPAC name: [3-[3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate. InChIKey: LYPYOTHXDUDQAL-UHFFFAOYSA-N.

Identity
Molecular formulaC30H32O12
Molecular weight584.6 g/mol
IUPAC name[3-[3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
InChIKeyLYPYOTHXDUDQAL-UHFFFAOYSA-N
SMILESCC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)OC(=O)C7=CC=CC=C7)O

Computed by PubChem (NCBI)

Synonyms: 2'-O-Benzoylpaeoniflorin, 2/'-O-Benzoylpaeoniflorin
Isomers (same molecular formula)
[(2R,3S,4S,5R,6S)-6-[[(1R,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate C30H32O12
[(2R,3S,4S,5R,6S)-6-[[(1R,3R,4R,6S,9S)-9-(benzoyloxymethyl)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate C30H32O12
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate C30H32O12