Chem
J-GLOBAL ID：200907018368419954   Nikkaji number：J830.795D

Isopulo’upone

イソプロウポン
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： C21H27NO
Molecular formula furigana： C21-H27-N-O
Molecular weight： 309.453
InChI： InChI=1S/C21H27NO/c1-16(23)21-18(14-13-17-9-7-12-20(17)21)8-3-2-4-10-19-11-5-6-15-22-19/h4-6,10-11,13-15,17-18,20-21H,2-3,7-9,12H2,1H3/b10-4+/t17-,18+,20+,21+/m0/s1
InChI key： NOQCDTWBLXKMJU-RMKJFREFSA-N
SMILES： CC(=O)[C@H]1[C@@H]2CCC[C@H]2C=C[C@H]1CCC/C=C/c1ccccn1
Systematic name  (3)：
  • 1-[[2,3,3aα,4,5,7aβ-ヘキサヒドロ-5α-[(E)-5-(2-ピリジニル)-4-ペンテニル]-1H-インデン]-4α-イル]エタノン
  • 1-[(3aR,4R,5R,7aS)-5-[(4E)-5-(ピリジン-2-イル)ペンタ-4-エン-1-イル]-2,3,3a,4,5,7a-ヘキサヒドロ-1H-インデン-4-イル]エタン-1-オン
  • 1-[(3aR,4R,5R,7aS)-5-[(4E)-5-(pyridin-2-yl)pent-4-en-1-yl]-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]ethan-1-one
Other name (3)：
  • イソプロウポン
  • Isopulo’upone
  • 1-[[2,3,3aα,4,5,7aβ-Hexahydro-5α-[(E)-5-(2-pyridinyl)-4-pentenyl]-1H-inden]-4α-yl]ethanone
CAS registry number： 149155-21-5
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