Chem
J-GLOBAL ID：200907057938337049   Nikkaji number：J221.365F

(-)-Isovelleral

(-)-イソベレラール
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： C15H20O2
Molecular formula furigana： C15-H20-O2
Molecular weight： 232.323
InChI： InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m0/s1
InChI key： PJAAESPGJOSQGZ-FDEJFUCISA-N
SMILES： C[C@@]12C[C@]1(C=O)C(=C[C@H]1CC(C)(C)C[C@@H]21)C=O
Systematic name  (4)：
  • (1aR)-3aα,4,5,6,6aα,6b-ヘキサヒドロ-5,5,6bβ-トリメチルシクロプロパ[e]インデン-1a,2(1H)-ジカルボアルデヒド
  • (1aβ,3aα,6aα,6bβ)-3a,4,5,6,6a,6b-ヘキサヒドロ-5,5,6b-トリメチルシクロプロパ[e]インデン-1a,2(1H)-ジカルボアルデヒド
  • (1aR,3aR,6aR,6bS)-5,5,6b-トリメチル-1H,1aH,3aH,4H,5H,6H,6aH,6bH-シクロプロパ[e]インデン-1a,2-ジカルバルデヒド
  • (1aR,3aR,6aR,6bS)-5,5,6b-trimethyl-1H,1aH,3aH,4H,5H,6H,6aH,6bH-cyclopropa[e]indene-1a,2-dicarbaldehyde
Other name (3)：
  • (1aβ,3aα,6aα,6bβ)-3a,4,5,6,6a,6b-Hexahydro-5,5,6b-trimethylcycloprop[e]indene-1a,2(1H)-dicarbaldehyde
  • (-)-Isovelleral
  • (-)-イソベレラール
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