Chem
J-GLOBAL ID：200907070390264133   Nikkaji number：J93.392I

Ageline A

アゲリンA
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(9-8-15-26(5)21(3)10-7-11-22(26)4)12-13-20(2)14-16-31-18-30(6)25-23(31)24(27)28-17-29-25/h9-10,14,17-18,22H,7-8,11-13,15-16H2,1-6H3,(H2,27,28,29)/q+1/b19-9+,20-14+/t22-,26-/m0/s1
InChI key： NFBLHGDRFOKXCU-BEHXQNNVSA-N
SMILES： C[C@H]1CCC=C(C)[C@]1(C)CC/C=C(\C)/CC/C(=C/Cn1c[n+](C)c2ncnc(N)c12)/C
Systematic name  (3)：
  • 6-アミノ-7-[(2E,6E)-3,6-ジメチル-9-[(1R)-1α,2,6α-トリメチル-2-シクロヘキセニル]-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)-3,6-ジメチル-9-[(1R,6S)-1,2,6-トリメチルシクロヘキサ-2-エン-1-イル]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)-3,6-dimethyl-9-[(1R,6S)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dien-1-yl]-9-methyl-7H-purin-9-ium
Other name (5)：
  • アゲリンA
  • アゲラシンF
  • Agelasine F
  • Ageline A
  • 6-Amino-7-[(2E,6E)-3,6-dimethyl-9-[(1R)-1α,2,6α-trimethyl-2-cyclohexenyl]-2,6-nonadienyl]-9-methyl-7H-purin-9-ium
CAS registry number： 88929-28-6
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