Chem
J-GLOBAL ID：200907007973594820   Nikkaji number：J2.642.842D

12,15-Epoxy-3,4-secolabdane-4(18),8(20),12,14-tetraen-3-oic acid

12,15-エポキシ-3,4-セコラブダン-4(18),8(20),12,14-テトラエン-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： C20H28O3
Molecular formula furigana： C20-H28-O3
Molecular weight： 316.441
InChI： InChI=1S/C20H28O3/c1-13(2)16-7-6-14(3)17(12-18-15(4)9-11-23-18)20(16,5)10-8-19(21)22/h9,11,16-17H,1,3,6-8,10,12H2,2,4-5H3,(H,21,22)/t16-,17-,20-/m0/s1
InChI key： MISLDQYVNNBESZ-ZWOKBUDYSA-N
SMILES： CC(=C)[C@@H]1CCC(=C)[C@H](Cc2occc2C)[C@@]1(C)CCC(=O)O
Systematic name  (3)：
  • 12,15-エポキシ-3,4-セコラブダン-4(18),8(20),12,14-テトラエン-3-酸
  • 3-[(1S,2S,6S)-1-メチル-2-[(3-メチルフラン-2-イル)メチル]-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-[(3-methylfuran-2-yl)methyl]-3-methylidene-6-(prop-1-en-2-yl)cyclohexyl]propanoic acid
Other name (1)：
  • 12,15-Epoxy-3,4-secolabdane-4(18),8(20),12,14-tetraen-3-oic acid
Thsaurus map：
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