Chem
J-GLOBAL ID：200907088780857760   Nikkaji number：J2.125.898I

(3aS)-3-Oxo-8-methoxy-2,3,3aβ,5aβ,6,10cβ-hexahydro-1H-phenanthro[10,1-bc]furan-10bβ(4H)-carbonitrile

(3aS)-3-オキソ-8-メトキシ-2,3,3aβ,5aβ,6,10cβ-ヘキサヒドロ-1H-フェナントロ[10,1-bc]フラン-10bβ(4H)-カルボニトリル
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： C17H17NO3
Molecular formula furigana： C17-H17-N-O3
Molecular weight： 283.327
InChI： InChI=1S/C17H17NO3/c1-20-11-2-3-13-10(6-11)7-15-16-12(8-21-15)14(19)4-5-17(13,16)9-18/h2-3,6,12,15-16H,4-5,7-8H2,1H3/t12-,15+,16+,17+/m0/s1
InChI key： VLARQYQCTZHERX-WBQNTZJQSA-N
SMILES： COc1ccc2c(C[C@H]3OC[C@@H]4[C@H]3[C@]2(CCC4=O)C#N)c1
Systematic name  (3)：
  • (3aS)-3-オキソ-8-メトキシ-2,3,3aβ,5aβ,6,10cβ-ヘキサヒドロ-1H-フェナントロ[10,1-bc]フラン-10bβ(4H)-カルボニトリル
  • (1S,9R,12S,16S)-5-メトキシ-13-オキソ-10-オキサテトラシクロ[7.6.1.02,7.012,16]ヘキサデカ-2,4,6-トリエン-1-カルボニトリル
  • (1S,9R,12S,16S)-5-methoxy-13-oxo-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6-triene-1-carbonitrile
Other name (1)：
  • (3aS)-3-Oxo-8-methoxy-2,3,3aβ,5aβ,6,10cβ-hexahydro-1H-phenanthro[10,1-bc]furan-10bβ(4H)-carbonitrile
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