Chem
J-GLOBAL ID：200907002277796573   Nikkaji number：J975.266H

(3S,4aS)-1,4a-Dimethyl-3-(heptanoyloxy)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one

(2S,8aS)-4,8a-ジメチル-3-オキソ-1,2,3,5,6,7,8,8a-オクタヒドロナフタレン-2-イル ヘプタノアート
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： C19H30O3
Molecular formula furigana： C19-H30-O3
Molecular weight： 306.446
InChI： InChI=1S/C19H30O3/c1-4-5-6-7-11-17(20)22-16-13-19(3)12-9-8-10-15(19)14(2)18(16)21/h16H,4-13H2,1-3H3/t16-,19-/m0/s1
InChI key： VDFLAFCXXFHBFB-LPHOPBHVSA-N
SMILES： CCCCCCC(=O)O[C@H]1C[C@]2(C)CCCCC2=C(C)C1=O
Systematic name  (3)：
  • (3S,4aS)-1,4a-ジメチル-3-(ヘプタノイルオキシ)-4,4a,5,6,7,8-ヘキサヒドロナフタレン-2(3H)-オン
  • (2S,8aS)-4,8a-ジメチル-3-オキソ-1,2,3,5,6,7,8,8a-オクタヒドロナフタレン-2-イル ヘプタノアート
  • (2S,8aS)-4,8a-dimethyl-3-oxo-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl heptanoate
Other name (1)：
  • (3S,4aS)-1,4a-Dimethyl-3-(heptanoyloxy)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
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