(2S,3R,12Bs)-11-[(2R)-1-Methyl-2-Pyrrolidinyl]-2-{[(1S)-2-Methyl-2,3,4,9-Tetrahydro-1H-β-Carbolin-1-Yl]Methyl}-3-Vinyl-1,2,3,4,6,7,12,12B-Octahydroindolo[2,3-A]Quinolizin-10-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C35H43N5O
IUPAC Name (2s,3r,5s,12bs)-2-[[(1s,2r)-2-methyl-3,4-dihydro-1h-pyrido[3,4-b]indol-9-ium-9a-ylium-1-yl]methyl]-11-[(1s,2r)-1-methylpyrrolidin-2-yl]-3-vinyl-2,3,4,6,7,12b-hexahydro-1h-indolo[2,3-a]quinolizin-12-ium-12a-ylium-10-ol
Molecular Mass 549.749 g·mol−1
Heat of Formation 162.2 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 689.94 Å 3
Surface Area 529.15 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,12bs)-11-[(2r)-1-methyl-2-pyrrolidinyl]-2-[[(1s)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-10-ol
  • (2s,3r,12bs)-11-[(2r)-1-methylpyrrolidin-2-yl]-2-[[(1s)-2-methyl-1,3,4,9-tetrahydro-$b-carbolin-1-yl]methyl]-3-vinyl-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-10-ol
  • (2s,3r,12bs)-11-[(2r)-1-methylpyrrolidin-2-yl]-2-[[(1s)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-10-ol
InChIKey PHLJPJICTIGOKC-XKYMZAEISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N