Chem
J-GLOBAL ID：200907017782828495   Nikkaji number：J247.766A

Guaiane

グアイアン
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： C15H28
Molecular formula furigana： C15-H28
Molecular weight： 208.389
InChI： InChI=1S/C15H28/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-15H,5-9H2,1-4H3/t11-,12-,13+,14-,15-/m0/s1
InChI key： QAQCPAHQVOKALN-RMEBNNNOSA-N
SMILES： CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)[C@@H]2C1
Systematic name  (3)：
  • (1S,3aS,8aS)-デカヒドロ-1,4β-ジメチル-7β-(1-メチルエチル)アズレン
  • (1S,3aS,4S,7R,8aS)-1,4-ジメチル-7-(プロパン-2-イル)-デカヒドロアズレン
  • (1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-(propan-2-yl)-decahydroazulene
Other name (3)：
  • Guaiane
  • グアイアン
  • (1S,3aS,8aS)-Decahydro-1,4β-dimethyl-7β-(1-methylethyl)azulene
CAS registry number： 489-80-5
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