Chem
J-GLOBAL ID：200907024574526589   Nikkaji number：J19.542A

Canellal

カネラール
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： C15H20O3
Molecular formula furigana： C15-H20-O3
Molecular weight： 248.322
InChI： InChI=1S/C15H20O3/c1-10-6-7-14(3)13(11(10)2)5-4-12(8-16)15(14,18)9-17/h4,8-10,13,18H,2,5-7H2,1,3H3/t10-,13-,14-,15+/m0/s1
InChI key： LDAIOVKPAKFZHM-FBUXBERBSA-N
SMILES： C[C@H]1CC[C@@]2(C)[C@@H](CC=C(C=O)[C@]2(O)C=O)C1=C
Systematic name  (3)：
  • (1S)-1,4,4aα,5,6,7,8,8a-オクタヒドロ-1α-ヒドロキシ-6β,8aβ-ジメチル-5-メチレン-1,2-ナフタレンジカルボアルデヒド
  • (1S,4aS,6S,8aS)-1-ヒドロキシ-6,8a-ジメチル-5-メチリデン-1,4,4a,5,6,7,8,8a-オクタヒドロナフタレン-1,2-ジカルバルデヒド
  • (1S,4aS,6S,8aS)-1-hydroxy-6,8a-dimethyl-5-methylidene-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde
Other name (5)：
  • カネラール
  • ムジガジアール
  • Canellal
  • Muzigadial
  • (1S)-1,4,4aα,5,6,7,8,8a-Octahydro-1α-hydroxy-6β,8aβ-dimethyl-5-methylene-1,2-naphthalenedicarbaldehyde
CAS registry number： 66550-09-2
KEGG COMPOUND： C09626
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