Chem
J-GLOBAL ID：200907099036635505   Nikkaji number：J13.921A

(-)-Rotundone

(-)-ロツンドン
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： C15H22O
Molecular formula furigana： C15-H22-O
Molecular weight： 218.340
InChI： InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3/t10-,11-,12+/m0/s1
InChI key： NUWMTBMCSQWPDG-SDDRHHMPSA-N
SMILES： C[C@H]1CC(=O)C2=C1C[C@@H](CC[C@@H]2C)C(=C)C
Systematic name  (5)：
  • (3S)-3,4,5,6,7,8-ヘキサヒドロ-3,8α-ジメチル-5α-(1-メチルエテニル)アズレン-1(2H)-オン
  • 3,4,5,6,7,8-ヘキサヒドロ-3α,8α-ジメチル-5α-(1-メチルエテニル)アズレン-1(2H)-オン
  • (3S,5R,8S)-5-イソプロペニル-3,8-ジメチル-3,4,5,6,7,8-ヘキサヒドロアズレン-1(2H)-オン
  • (3S,5R,8S)-3,8-ジメチル-5-(プロパ-1-エン-2-イル)-1,2,3,4,5,6,7,8-オクタヒドロアズレン-1-オン
  • (3S,5R,8S)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-one
Other name (9)：
  • (-)-ロツンドン
  • (-)-Rotundone
  • (3S)-3,4,5,6,7,8-Hexahydro-3,8α-dimethyl-5α-(1-methylethenyl)azulen-1(2H)-one
  • 3,4,5,6,7,8-Hexahydro-3α,8α-dimethyl-5α-(1-methylethenyl)azulene-1(2H)-one
  • (3S,5R,8S)-5-Isopropenyl-3,8-dimethyl-3,4,5,6,7,8-hexahydroazulene-1(2H)-one
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CAS registry number： 18374-76-0
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