Chem
J-GLOBAL ID:200907018320707605   Nikkaji number:J2.131.097B

1β-[(1E,3E)-1,3-Pentadienyl]-1,2,3,4,4aβ,9,10,10aα-octahydrophenanthrene

1β-[(1E,3E)-1,3-ペンタジエニル]-1,2,3,4,4aβ,9,10,10aα-オクタヒドロフェナントレン
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: C19H24
Molecular formula furigana: C19-H24
Molecular weight: 252.401
InChI: InChI=1S/C19H24/c1-2-3-4-8-15-10-7-12-19-17-11-6-5-9-16(17)13-14-18(15)19/h2-6,8-9,11,15,18-19H,7,10,12-14H2,1H3/b3-2+,8-4+/t15-,18-,19+/m0/s1
InChI key: HXQWMLHKEZUQLF-GDACCETNSA-N
SMILES: C/C=C/C=C/[C@H]1CCC[C@H]2[C@H]1CCc1ccccc21
Systematic name  (3):
  • 1β-[(1E,3E)-1,3-ペンタジエニル]-1,2,3,4,4aβ,9,10,10aα-オクタヒドロフェナントレン
  • (1R,4aS,10aS)-1-[(1E,3E)-ペンタ-1,3-ジエン-1-イル]-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン
  • (1R,4aS,10aS)-1-[(1E,3E)-penta-1,3-dien-1-yl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
Other name (1):
  • 1β-[(1E,3E)-1,3-Pentadienyl]-1,2,3,4,4aβ,9,10,10aα-octahydrophenanthrene
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