8',10,11-Trimethoxytubulosan

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Properties Simple | Detailed

Formula C30H39N3O3
IUPAC Name (2s,3r,5r,11bs)-3-ethyl-2-[[(7r)-3-[(e)-2-hydroxyvinyl]-2-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-1-ium-7-yl]methyl]-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizine-9,10-diol
Molecular Mass 489.649 g·mol−1
Heat of Formation -278.6 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 605.13 Å 3
Surface Area 512.3 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy 2.92 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-o-methyltubulosine
  • (2s,3r,11bs)-3-ethyl-9,10-dimethoxy-2-[[(1r)-6-methoxy-2,3,4,9-tetrahydro-1h-$b-carbolin-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinoline
  • (2s,3r,11bs)-3-ethyl-9,10-dimethoxy-2-[[(1r)-6-methoxy-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinoline
  • o-methyltubulosine
  • tubulosan, 8',10,11-trimethoxy-
  • tubulosine, o-methyl
CAS Number(s)
  • 5263-31-0
InChIKey YQCYWTNBMKOEPG-CWYCPHMGSA-N
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