Chem
J-GLOBAL ID：200907039080492450   Nikkaji number：J1.682.673A

Upial

ウピアール
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： C15H20O3
Molecular formula furigana： C15-H20-O3
Molecular weight： 248.322
InChI： InChI=1S/C15H20O3/c1-9-8-11-12-10(2)14(9,3)4-5-15(12,6-7-16)13(17)18-11/h7,9,11-12H,2,4-6,8H2,1,3H3/t9?,11-,12+,14?,15-/m1/s1
InChI key： NAOUIRAWBZMRCO-JNLWSYMGSA-N
SMILES： CC1C[C@H]2OC(=O)[C@@]3(CC=O)CCC1(C)C(=C)[C@@H]23
Systematic name  (3)：
  • (1α)-2-(2-オキソエチル)-5,6-ジメチル-8β-ヒドロキシ-9-メチレンビシクロ[3.3.1]ノナン-2β-カルボン酸ラクトン
  • 2-[(4R,7R,8R)-1,2-ジメチル-9-メチリデン-6-オキソ-5-オキサトリシクロ[5.2.2.04,8]ウンデカン-7-イル]アセトアルデヒド
  • 2-[(4R,7R,8R)-1,2-dimethyl-9-methylidene-6-oxo-5-oxatricyclo[5.2.2.04,8]undecan-7-yl]acetaldehyde
Other name (3)：
  • (1α)-2-(2-Oxoethyl)-5,6-dimethyl-8β-hydroxy-9-methylenebicyclo[3.3.1]nonane-2β-carboxylic acid lactone
  • ウピアール
  • Upial
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