Chem
J-GLOBAL ID:200907026540353564   Nikkaji number:J1.467.206K

(2Z,4E)-3-Methyl-5-[(1S)-1-hydroxy-2,6α-dimethyl-4-oxo-6-propargyl-2-cyclohexene-1β-yl]-2,4-pentadienoic acid

(2Z,4E)-3-メチル-5-[(1S)-1-ヒドロキシ-2,6α-ジメチル-4-オキソ-6-プロパルギル-2-シクロヘキセン-1β-イル]-2,4-ペンタジエン酸
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: C17H20O4
Molecular formula furigana: C17-H20-O4
Molecular weight: 288.343
InChI: InChI=1S/C17H20O4/c1-5-7-16(4)11-14(18)10-13(3)17(16,21)8-6-12(2)9-15(19)20/h1,6,8-10,21H,7,11H2,2-4H3,(H,19,20)/b8-6+,12-9-/t16-,17-/m1/s1
InChI key: WICPRKGRVVNZEM-JYDNQFEKSA-N
SMILES: C/C(=C/C(=O)O)/C=C/[C@@]1(O)C(=CC(=O)C[C@@]1(C)CC#C)C
Systematic name  (3):
  • (2Z,4E)-3-メチル-5-[(1S)-1-ヒドロキシ-2,6α-ジメチル-4-オキソ-6-プロパルギル-2-シクロヘキセン-1β-イル]-2,4-ペンタジエン酸
  • (2Z,4E)-5-[(1S,6R)-1-ヒドロキシ-2,6-ジメチル-4-オキソ-6-(プロパ-2-イン-1-イル)シクロヘキサ-2-エン-1-イル]-3-メチルペンタ-2,4-ジエン酸
  • (2Z,4E)-5-[(1S,6R)-1-hydroxy-2,6-dimethyl-4-oxo-6-(prop-2-yn-1-yl)cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Other name (1):
  • (2Z,4E)-3-Methyl-5-[(1S)-1-hydroxy-2,6α-dimethyl-4-oxo-6-propargyl-2-cyclohexene-1β-yl]-2,4-pentadienoic acid
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