Chem
J-GLOBAL ID:200907027947818258   Nikkaji number:J1.506.732B

(2E,5S)-4-Oxo-5-[(4-methoxybenzyl)oxy]-2-hexenoic acid (S)-1-methyl-3-oxo-3-[(S)-1-(2-furyl)ethoxy]propyl ester

(2E,5S)-4-オキソ-5-[(4-メトキシベンジル)オキシ]-2-ヘキセン酸(S)-1-メチル-3-オキソ-3-[(S)-1-(2-フリル)エトキシ]プロピル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C24H28O8
Molecular formula furigana: C24-H28-O8
Molecular weight: 444.480
InChI: InChI=1S/C24H28O8/c1-16(14-24(27)32-18(3)22-6-5-13-29-22)31-23(26)12-11-21(25)17(2)30-15-19-7-9-20(28-4)10-8-19/h5-13,16-18H,14-15H2,1-4H3/b12-11+/t16-,17-,18-/m0/s1
InChI key: NDAIVGHZOUJAQS-APHMGVKJSA-N
SMILES: COc1ccc(CO[C@@H](C)C(=O)/C=C/C(=O)O[C@@H](C)CC(=O)O[C@@H](C)c2ccco2)cc1
Systematic name  (3):
  • (2E,5S)-4-オキソ-5-[(4-メトキシベンジル)オキシ]-2-ヘキセン酸(S)-1-メチル-3-オキソ-3-[(S)-1-(2-フリル)エトキシ]プロピル
  • (2S)-4-[(1S)-1-(フラン-2-イル)エトキシ]-4-オキソブタン-2-イル (2E,5S)-5-[(4-メトキシフェニル)メトキシ]-4-オキソヘキサ-2-エノアート
  • (2S)-4-[(1S)-1-(furan-2-yl)ethoxy]-4-oxobutan-2-yl (2E,5S)-5-[(4-methoxyphenyl)methoxy]-4-oxohex-2-enoate
Other name (1):
  • (2E,5S)-4-Oxo-5-[(4-methoxybenzyl)oxy]-2-hexenoic acid (S)-1-methyl-3-oxo-3-[(S)-1-(2-furyl)ethoxy]propyl ester
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