Chem
J-GLOBAL ID：200907026011288773   Nikkaji number：J1.865.969G

(5S,6S)-5,6-Epoxy-7-[(1Z,2S)-2-allyl-5-oxo-3-cyclopentenylidene]heptanoic acid methyl ester

(5S,6S)-5,6-エポキシ-7-[(1Z,2S)-2-アリル-5-オキソ-3-シクロペンテニリデン]ヘプタン酸メチル
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： C16H20O4
Molecular formula furigana： C16-H20-O4
Molecular weight： 276.332
InChI： InChI=1S/C16H20O4/c1-3-5-11-8-9-13(17)12(11)10-15-14(20-15)6-4-7-16(18)19-2/h3,8-11,14-15H,1,4-7H2,2H3/b12-10-/t11-,14-,15-/m0/s1
InChI key： NXWYUCLLHHAPRE-SGBCENHKSA-N
SMILES： COC(=O)CCC[C@@H]1O[C@H]1/C=C\1/[C@@H](CC=C)C=CC1=O
Systematic name  (3)：
  • (5S,6S)-5,6-エポキシ-7-[(1Z,2S)-2-アリル-5-オキソ-3-シクロペンテニリデン]ヘプタン酸メチル
  • メチル 4-[(2S,3S)-3-{[(1Z,5S)-2-オキソ-5-(プロパ-2-エン-1-イル)シクロペンタ-3-エン-1-イリデン]メチル}オキシラン-2-イル]ブタノアート
  • methyl 4-[(2S,3S)-3-{[(1Z,5S)-2-oxo-5-(prop-2-en-1-yl)cyclopent-3-en-1-ylidene]methyl}oxiran-2-yl]butanoate
Other name (1)：
  • (5S,6S)-5,6-Epoxy-7-[(1Z,2S)-2-allyl-5-oxo-3-cyclopentenylidene]heptanoic acid methyl ester
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