Chem
J-GLOBAL ID：200907079588123559   Nikkaji number：J1.764.345B

Kanshone F

カンショーンF
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： C20H30O3
Molecular formula furigana： C20-H30-O3
Molecular weight： 318.457
InChI： InChI=1S/C20H30O3/c1-11(2)9-16(22)23-15-8-7-12(3)20(6)13(15)10-14(21)17-18(20)19(17,4)5/h10-12,15,17-18H,7-9H2,1-6H3/t12-,15-,17-,18+,20+/m1/s1
InChI key： PTYVAENMFGJFCK-JZPXUEKVSA-N
SMILES： CC(C)CC(=O)O[C@@H]1CC[C@@H](C)[C@]2(C)[C@H]3[C@@H](C(=O)C=C12)C3(C)C
Systematic name  (3)：
  • 3-メチルブタン酸[(1aR)-1,1,7β,7aβ-テトラメチル-2-オキソ-1aβ,2,4,5,6,7,7a,7bβ-オクタヒドロ-1H-シクロプロパ[a]ナフタレン]-4α-イル
  • (1aR,4R,7R,7aR,7bS)-1,1,7,7a-テトラメチル-2-オキソ-1H,1aH,2H,4H,5H,6H,7H,7aH,7bH-シクロプロパ[a]ナフタレン-4-イル 3-メチルブタノアート
  • (1aR,4R,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2-oxo-1H,1aH,2H,4H,5H,6H,7H,7aH,7bH-cyclopropa[a]naphthalen-4-yl 3-methylbutanoate
Other name (3)：
  • 3-Methylbutanoic acid [(1aR)-1,1,7β,7aβ-tetramethyl-2-oxo-1aβ,2,4,5,6,7,7a,7bβ-octahydro-1H-cyclopropa[a]naphthalene]-4α-yl ester
  • Kanshone F
  • カンショーンF
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