Chem
J-GLOBAL ID：200907056983560275   Nikkaji number：J2.133.669F

Halichonadin C

ハリコナジンC
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： C15[C-]H25[N+]
Molecular formula furigana： C16-H25-N
Molecular weight： 231.383
InChI： InChI=1S/C16H25N/c1-11(2)13-8-10-16(4)9-6-7-12(3)14(16)15(13)17-5/h11,13-15H,3,6-10H2,1-2,4H3/t13-,14+,15-,16+/m0/s1
InChI key： NGARBJVRZHLZOO-XUWVNRHRSA-N
SMILES： CC(C)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2[C@H]1[N+]#[C-]
Systematic name  (3)：
  • [(1S,8aβ)-2α-イソプロピル-4aα-メチル-8-メチレンデカリン-1β-イル]イソシアニド
  • (1S,2S,4aR,8aS)-1-イソシアノ-4a-メチル-8-メチリデン-2-(プロパン-2-イル)-デカヒドロナフタレン
  • (1S,2S,4aR,8aS)-1-isocyano-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalene
Other name (3)：
  • [(1S,8aβ)-2α-Isopropyl-4aα-methyl-8-methylenedecalin-1β-yl] isocyanide
  • ハリコナジンC
  • Halichonadin C
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