2-[2-({(2E,6E)-3,7-Dimethyl-9-[(1S,6R)-1,2,6-Trimethyl-2-Cyclohexen-1-Yl]-2,6-Nonadien-1-Yl}Sulfonyl)Ethyl]Guanidine

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Properties Simple | Detailed

Formula C23H41N3O2S
IUPAC Name 2-[2-[(2e,6e)-3,7-dimethyl-9-[(1s,6r)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine
Molecular Mass 423.656 g·mol−1
Heat of Formation -463.1 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 566.71 Å 3
Surface Area 416.28 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[(2e,6e)-3,7-dimethyl-9-[(1s,6r)-1,2,6-trimethyl-1-cyclohex-2-enyl]nona-2,6-dienyl]sulfonylethyl]guanidine
  • agd-c
  • agelasidine c
  • guanidine, (2-((3,7-dimethyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)-, (1s-(1alpha(2e,6e),6beta))-
CAS Number(s)
  • 96617-52-6
InChIKey ZKAIIIOGWKNEAA-DEWOAGJPSA-N
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