Chem
J-GLOBAL ID：200907096810892134   Nikkaji number：J19.997D

Onchidal

オンキダール
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： C17H24O3
Molecular formula furigana： C17-H24-O3
Molecular weight： 276.376
InChI： InChI=1S/C17H24O3/c1-13-6-5-10-17(3,4)16(13)8-7-15(12-18)9-11-20-14(2)19/h7,9,11-12,16H,1,5-6,8,10H2,2-4H3/b11-9+,15-7+
InChI key： BEKQPDFPPJFVJP-AHSQCEKMSA-N
SMILES： CC(=O)O/C=C/C(=C\CC1C(=C)CCCC1(C)C)/C=O
Systematic name  (3)：
  • [E,(+)]-2-[(E)-2-アセトキシエテニル]-4-(2,2-ジメチル-6-メチレンシクロヘキシル)-2-ブテナール
  • (1E,3E)-3-[2-(2,2-ジメチル-6-メチリデンシクロヘキシル)エチリデン]-4-オキソブタ-1-エン-1-イル アセタート
  • (1E,3E)-3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethylidene]-4-oxobut-1-en-1-yl acetate
Other name (3)：
  • オンキダール
  • Onchidal
  • [E,(+)]-2-[(E)-2-Acetoxyethenyl]-4-(2,2-dimethyl-6-methylenecyclohexyl)-2-butenal
CAS registry number： 67656-42-2
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