6-Amino-9-Methyl-7-{(2E)-3-Methyl-5-[(1S,2R,4Ar,8Ar)-1,2,4A,5-Tetramethyl-1,2,3,4,4A,7,8,8A-Octahydro-1-Naphthalenyl]-2-Penten-1-Yl}-7H-Purin-9-Ium

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Properties Simple | Detailed

Formula C26H47N5
IUPAC Name 7-[(e)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine
Molecular Mass 429.685 g·mol−1
Heat of Formation 131.8 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 564.19 Å 3
Surface Area 419.07 Å 2
Point Group Symmetry C1
Synonyms
  • 7-[(e)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-9-ium-6-amine
  • 7-[(e)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-6-purin-9-iumamine
  • 7h-purinium, 6-amino-9-methyl-7-(3-methyl-5-(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)-2-pentenyl)-, (1s-(1alpha(e),2beta,4abeta,8aalpha))-
  • [7-[(e)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-9-ium-6-yl]amine
  • agelasine b
  • ags-b
CAS Number(s)
  • 92664-76-1
InChIKey YCSGSEAQYPDNAQ-FGOPRVDBSA-N
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