Chem
J-GLOBAL ID：200907069386251967
Nikkaji number：J2.065.284E
7β-(Benzyloxy)-1-cyano-1,2,6,6a,7,8,9,10-octahydro-6aβ-methylbenzo[d]indene-4(5H)-one
7β-(ベンジルオキシ)-1-シアノ-1,2,6,6a,7,8,9,10-オクタヒドロ-6aβ-メチルベンゾ[d]インデン-4(5H)-オン
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
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
Molecular formula： C22H25NO2
Molecular formula furigana： C22-H25-N-O2
Molecular weight： 335.447
InChI：
InChI=1S/C22H25NO2/c1-21-13-11-19(24)18-10-9-17(14-23)22(18,21)12-5-8-20(21)25-15-16-6-3-2-4-7-16/h2-4,6-7,10,17,20H,5,8-9,11-13,15H2,1H3/t17?,20-,21+,22?/m0/s1
InChI key：
BXYWIELIFFVXFD-IXRUWLOTSA-N
SMILES：
C[C@]12CCC(=O)C3=CCC(C#N)C13CCC[C@@H]2OCc1ccccc1
Systematic name (4)：
- (6aS)-4-オキソ-6aβ-メチル-7β-(ベンジルオキシ)-1,2,4,5,6,6a,7,8,9,10-デカヒドロベンゾ[d]インデン-1-カルボニトリル
- 7β-(ベンジルオキシ)-1-シアノ-1,2,6,6a,7,8,9,10-オクタヒドロ-6aβ-メチルベンゾ[d]インデン-4(5H)-オン
- (6aS,7S)-7-(ベンジルオキシ)-6a-メチル-4-オキソ-1H,2H,4H,5H,6H,6aH,7H,8H,9H,10H-シクロペンタ[e]ナフタレン-1-カルボニトリル
- (6aS,7S)-7-(benzyloxy)-6a-methyl-4-oxo-1H,2H,4H,5H,6H,6aH,7H,8H,9H,10H-cyclopenta[e]naphthalene-1-carbonitrile
- (6aS)-4-Oxo-6aβ-methyl-7β-(benzyloxy)-1,2,4,5,6,6a,7,8,9,10-decahydrobenzo[d]indene-1-carbonitrile
- 7β-(Benzyloxy)-1-cyano-1,2,6,6a,7,8,9,10-octahydro-6aβ-methylbenzo[d]indene-4(5H)-one
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