Products 933054-33-2

CAS 933054-33-2 is the registry number for Monomethyl lithospermate. Offered by: Biosynth, MedChemExpress. Available pack sizes: 2mg, 1mg, 5mg, 10mg, Get quote.

Monomethyl lithospermate
Biosynth, MedChemExpress
  • size: 2mg, 1mg, 5mg, 10mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid (CAS 933054-33-2) is a chemical compound with the molecular formula C28H24O12 and a molecular weight of 552.5 g/mol. IUPAC name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid. InChIKey: NFOCYHUCMXEHDG-YKMFFSNCSA-N.

Identity
Molecular formulaC28H24O12
Molecular weight552.5 g/mol
IUPAC name(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid
InChIKeyNFOCYHUCMXEHDG-YKMFFSNCSA-N
SMILESCOC(=O)[C@@H]1[C@H](OC2=C(C=CC(=C12)/C=C/C(=O)O[C@H](CC3=CC(=C(C=C3)O)O)C(=O)O)O)C4=CC(=C(C=C4)O)O

Computed by PubChem (NCBI)

Synonyms: Monomethyl lithospermate, 9'-methyl lithospermate, orb1683248
Isomers (same molecular formula)
3-(3,4-dihydroxyphenyl)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carbonyl]oxypropanoic acid C28H24O12