Chem
J-GLOBAL ID：200907077016793887   Nikkaji number：J70.102E

5,7-Megastigmadien-9-one

5,7-メガスチグマジエン-9-オン
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： C13H20O
Molecular formula furigana： C13-H20-O
Molecular weight： 192.302
InChI： InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
InChI key： PSQYTAPXSHCGMF-UHFFFAOYSA-N
SMILES： CC(=O)C=CC1=C(C)CCCC1(C)C
Systematic name  (9)：
  • 1-(2,6,6-トリメチル-1-シクロヘキセン-1-イル)-1-ブテン-3-オン
  • 2-(3-オキソ-1-ブテン-1-イル)-1,3,3-トリメチル-1-シクロヘキセン
  • 4-(2,6,6-トリメチル-1-シクロヘキセン-1-イル)-3-ブテン-2-オン
  • 4-(2,6,6-トリメチル-1-シクロヘキセニル)-3-ブテン-2-オン
  • 1,3,3-トリメチル-2-(3-オキソ-1-ブテニル)-1-シクロヘキセン
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Other name (7)：
  • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
  • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • 1,3,3-Trimethyl-2-(3-oxo-1-butenyl)-1-cyclohexene
  • 1-(2,6,6-Trimethylcyclohexene-1-yl)-1-butene-3-one
  • 5,7-メガスチグマジエン-9-オン
Show all
CAS registry number： 14901-07-6
Regulation number (3)：
  • EN0350000
  • EINECS2389699
  • TSCA(14901-07-6)
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