Chem
J-GLOBAL ID：200907066571229642   Nikkaji number：J14.836I

Valeranone

バレラノン
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： C15H26O
Molecular formula furigana： C15-H26-O
Molecular weight： 222.372
InChI： InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m0/s1
InChI key： HDVXJTYHXDVWQO-NWANDNLSSA-N
SMILES： CC(C)[C@H]1CC[C@@]2(C)CCCC(=O)[C@@]2(C)C1
Systematic name  (4)：
  • [4aR,(+)]-3,4,4a,5,6,7,8,8a-オクタヒドロ-4a,8aβ-ジメチル-7α-イソプロピルナフタレン-1(2H)-オン
  • (4aR)-3,4,4a,5,6,7,8,8a-オクタヒドロ-4aβ,8aβ-ジメチル-7α-イソプロピルナフタレン-1(2H)-オン
  • (4aR,7S,8aS)-4a,8a-ジメチル-7-(プロパン-2-イル)-デカヒドロナフタレン-1-オン
  • (4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)-decahydronaphthalen-1-one
Other name (6)：
  • (+)-バレラノン
  • (+)-Valeranone
  • (4aR)-3,4,4a,5,6,7,8,8a-Octahydro-4aβ,8aβ-dimethyl-7α-isopropylnaphthalene-1(2H)-one
  • [4aR,(+)]-3,4,4a,5,6,7,8,8a-Octahydro-4a,8aβ-dimethyl-7α-isopropylnaphthalene-1(2H)-one
  • Valeranone
Show all
CAS registry number： 1803-39-0
KEGG COMPOUND： C16813
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