Chem
J-GLOBAL ID：200907050762388240   Nikkaji number：J93.387B

Agelasine A

アゲラシン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/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)10-13-25(4)20(3)11-14-26(5)19(2)8-7-9-21(25)26/h8,12,16-17,20-21H,7,9-11,13-15H2,1-6H3,(H2,27,28,29)/q+1/b18-12+/t20-,21-,25+,26-/m0/s1
InChI key： YCSGSEAQYPDNAQ-FGTPADRVSA-N
SMILES： C[C@H]1CC[C@]2(C)[C@@H](CCC=C2C)[C@]1(C)CC/C(=C/Cn1c[n+](C)c2ncnc(N)c12)/C
Systematic name  (3)：
  • 6-アミノ-9-メチル-7-[(2E)-3-メチル-5-[(1R)-1,2,3,4,4a,7,8,8aα-オクタヒドロ-1,2β,4aα,5-テトラメチルナフタレン-1α-イル]-2-ペンテニル]-7H-プリン-9-イウム
  • 7-[(2E)-5-[(1R,2S,4aR,8aS)-1,2,4a,5-テトラメチル-1,2,3,4,4a,7,8,8a-オクタヒドロナフタレン-1-イル]-3-メチルペンタ-2-エン-1-イル]-6-アミノ-9-メチル-7H-プリン-9-イウム
  • 7-[(2E)-5-[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methyl-7H-purin-9-ium
Other name (4)：
  • Agelasine A
  • アゲラシンA
  • 6-Amino-9-methyl-7-[(2E)-3-methyl-5-[(1R)-1,2,3,4,4a,7,8,8aα-octahydro-1,2β,4aα,5-tetramethylnaphthalen-1α-yl]-2-pentenyl]-7H-purin-9-ium
  • (-)-アゲラシンA
CAS registry number： 56271-74-0
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