Chem
J-GLOBAL ID：200907099185170515   Nikkaji number：J2.642.844K

(12E)-14-Oxo-3,4-seco-15-norlabdane-4(18),8(20),12-trien-3-oic acid

(12E)-14-オキソ-3,4-セコ-15-ノルラブダン-4(18),8(20),12-トリエン-3-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： C19H28O3
Molecular formula furigana： C19-H28-O3
Molecular weight： 304.430
InChI： InChI=1S/C19H28O3/c1-13(2)16-9-7-15(4)17(8-6-14(3)12-20)19(16,5)11-10-18(21)22/h6,12,16-17H,1,4,7-11H2,2-3,5H3,(H,21,22)/b14-6+/t16-,17-,19-/m0/s1
InChI key： HMGDRTLMZZMEPT-LTWBEMQHSA-N
SMILES： CC(=C)[C@@H]1CCC(=C)[C@H](C/C=C(\C)/C=O)[C@@]1(C)CCC(=O)O
Systematic name  (3)：
  • (12E)-14-オキソ-3,4-セコ-15-ノルラブダン-4(18),8(20),12-トリエン-3-酸
  • 3-[(1S,2S,6S)-1-メチル-2-[(2E)-3-メチル-4-オキソブタ-2-エン-1-イル]-3-メチリデン-6-(プロパ-1-エン-2-イル)シクロヘキシル]プロパン酸
  • 3-[(1S,2S,6S)-1-methyl-2-[(2E)-3-methyl-4-oxobut-2-en-1-yl]-3-methylidene-6-(prop-1-en-2-yl)cyclohexyl]propanoic acid
Other name (1)：
  • (12E)-14-Oxo-3,4-seco-15-norlabdane-4(18),8(20),12-trien-3-oic acid
Thsaurus map：
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