Chem
J-GLOBAL ID：200907098855218895   Nikkaji number：J1.300.457I

Gardenate A

ガルデナートA
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： C12H18O6
Molecular formula furigana： C12-H18-O6
Molecular weight： 258.269
InChI： InChI=1S/C12H18O6/c1-17-11(15)9(6-14)8-4-3-7(5-13)10(8)12(16)18-2/h3,8-10,13-14H,4-6H2,1-2H3/t8-,9?,10-/m1/s1
InChI key： SDWHLKFQMBNHOO-RCAUJQPQSA-N
SMILES： COC(=O)C(CO)[C@H]1CC=C(CO)[C@H]1C(=O)OC
Systematic name  (3)：
  • (1S)-α,3-ビス(ヒドロキシメチル)-2α-(メトキシカルボニル)-3-シクロペンテン-1α-酢酸メチル
  • メチル (1S,5S)-5-(3-ヒドロキシ-1-メトキシ-1-オキソプロパン-2-イル)-2-(ヒドロキシメチル)シクロペンタ-2-エン-1-カルボキシラート
  • methyl (1S,5S)-5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
Other name (3)：
  • (1S)-α,3-Bis(hydroxymethyl)-2α-(methoxycarbonyl)-3-cyclopentene-1α-acetic acid methyl ester
  • ガルデナートA
  • Gardenate A
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