Chem
J-GLOBAL ID：200907026662417920   Nikkaji number：J139.301D

Agelasine E

アゲラシンE
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： C26H40N4[N+]
Molecular formula furigana： C26-H40-N5
Molecular weight： 422.640
InChI： InChI=1S/C26H40N5/c1-19(12-13-22-21(3)11-8-15-26(22,4)5)9-7-10-20(2)14-16-31-18-30(6)25-23(31)24(27)28-17-29-25/h9,14,17-18,22H,3,7-8,10-13,15-16H2,1-2,4-6H3,(H2,27,28,29)/q+1/b19-9+,20-14+/t22-/m1/s1
InChI key： PPCBHTAMQFLZHZ-DYKJIVJTSA-N
SMILES： C/C(=C\Cn1c[n+](C)c2ncnc(N)c12)/CC/C=C(\C)/CC[C@@H]1C(=C)CCCC1(C)C
Systematic name  (4)：
  • 6-アミノ-7-[(2E,6E)-3,7-ジメチル-9-[(1S)-6,6-ジメチル-2-メチレンシクロヘキシル]-2,6-ノナジエニル]-9-メチル-7H-プリン-9-イウム
  • 6-アミノ-7-[(2E,6E)-3,7-ジメチル-9-(2,2-ジメチル-6-メチレンシクロヘキサン-1β-イル)-2,6-ノナジエニル]-9-メチル-9H-プリン-7-イウム
  • 6-アミノ-7-[(2E,6E)-9-[(1S)-2,2-ジメチル-6-メチリデンシクロヘキシル]-3,7-ジメチルノナ-2,6-ジエン-1-イル]-9-メチル-7H-プリン-9-イウム
  • 6-amino-7-[(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-yl]-9-methyl-7H-purin-9-ium
Other name (4)：
  • Agelasine E
  • アゲラシンE
  • 6-Amino-7-[(2E,6E)-3,7-dimethyl-9-[(1S)-6,6-dimethyl-2-methylenecyclohexyl]-2,6-nonadienyl]-9-methyl-7H-purin-9-ium
  • 6-Amino-7-[(2E,6E)-3,7-dimethyl-9-(2,2-dimethyl-6-methylenecyclohexane-1β-yl)-2,6-nonadienyl]-9-methyl-9H-purine-7-ium
CAS registry number： 92599-00-3
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