Lunatoic acid B

cas: 65745-49-5 — see every product listed under this CAS number, including other names

Lunatoic acid B (CAS 65745-49-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas65745-49-5
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Structural formula: {0} (CAS {1})

(E)-3-[(7R,8R)-8-[(2S,4S)-2,4-dimethylhexanoyl]oxy-7-hydroxy-7-methyl-6-oxo-8H-isochromen-3-yl]prop-2-enoic acid (CAS 65745-49-5) is a chemical compound with the molecular formula C21H26O7 and a molecular weight of 390.4 g/mol. IUPAC name: (E)-3-[(7R,8R)-8-[(2S,4S)-2,4-dimethylhexanoyl]oxy-7-hydroxy-7-methyl-6-oxo-8H-isochromen-3-yl]prop-2-enoic acid. InChIKey: RLICWTXAOKQGIK-SNHOBTOISA-N.

Identity
Molecular formulaC21H26O7
Molecular weight390.4 g/mol
IUPAC name(E)-3-[(7R,8R)-8-[(2S,4S)-2,4-dimethylhexanoyl]oxy-7-hydroxy-7-methyl-6-oxo-8H-isochromen-3-yl]prop-2-enoic acid
InChIKeyRLICWTXAOKQGIK-SNHOBTOISA-N
SMILESCC[C@H](C)C[C@H](C)C(=O)O[C@@H]1C2=COC(=CC2=CC(=O)[C@]1(C)O)/C=C/C(=O)O

Computed by PubChem (NCBI)

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