Chem
J-GLOBAL ID：200907090547689142   Nikkaji number：J2.066.621H

(3S,4R,7S,8S,11S,13S)-8-Isocyanoamphilecta-1(12),14-diene

(3S,4R,7S,8S,11S,13S)-8-イソシアノアンフィレクタ-1(12),14-ジエン
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： C20[C-]H31[N+]
Molecular formula furigana： C21-H31-N
Molecular weight： 297.486
InChI： InChI=1S/C21H31N/c1-13(2)11-17-12-15(4)18-8-7-16(5)21(22-6)10-9-14(3)19(17)20(18)21/h11,14-16,18,20H,7-10,12H2,1-5H3/t14-,15-,16-,18+,20-,21-/m0/s1
InChI key： AUGNZYHUAYLFEB-XDBTUQKASA-N
SMILES： C[C@H]1CC(=C2[C@@H](C)CC[C@]3([N+]#[C-])[C@@H](C)CC[C@H]1[C@@H]23)C=C(C)C
Systematic name  (3)：
  • (3S,3aR,6S,6aS,9S,9bS)-3,3a,4,5,6,6a,7,8,9,9b-デカヒドロ-6a-イソシアノ-1-(2-メチル-1-プロペニル)-3,6,9-トリメチル-2H-フェナレン
  • (1S,3aS,3a1S,4S,6aR,7S)-3a-イソシアノ-1,4,7-トリメチル-9-(2-メチルプロパ-1-エン-1-イル)-2,3,3a,3a1,4,5,6,6a,7,8-デカヒドロ-1H-フェナレン
  • (1S,3aS,3a1S,4S,6aR,7S)-3a-isocyano-1,4,7-trimethyl-9-(2-methylprop-1-en-1-yl)-2,3,3a,3a1,4,5,6,6a,7,8-decahydro-1H-phenalene
Other name (3)：
  • (3S,3aR,6S,6aS,9S,9bS)-3,3a,4,5,6,6a,7,8,9,9b-Decahydro-6a-isocyano-1-(2-methyl-1-propenyl)-3,6,9-trimethyl-2H-phenalene
  • (3S,4R,7S,8S,11S,13S)-8-イソシアノアンフィレクタ-1(12),14-ジエン
  • (3S,4R,7S,8S,11S,13S)-8-Isocyanoamphilecta-1(12),14-diene
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