(3S,6'R,7'R,8A'S)-6-Hydroxy-7'-{[(1S)-2-Methyl-2,3,4,9-Tetrahydro-1H-β-Carbolin-1-Yl]Methyl}-6'-Vinyl-2',3',6',7',8',8A'-Hexahydro-5'H-Spiro[Indole-3,1'-Indolizin]-2(1H)-One

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Properties Simple | Detailed

Formula C30H34N4O2
IUPAC Name [2-[(1z,7e)-3-ethynyl-7-[(1r,5r)-4-isocyanato-6-oxo-3-bicyclo[3.1.0]hex-2-enyl]-1-azacyclonona-7,9-dien-5-yn-4-ylidene]-1-(4-ethynyl-3-methyl-2h-pyrrol-5-yl)vinyl]-methylidyne-ammonium
Molecular Mass 482.617 g·mol−1
Heat of Formation -6.8 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 597.48 Å 3
Surface Area 459.38 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6r,7r,8as)-6'-hydroxy-7-[[(1s)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-6-vinyl-2'-spiro[3,5,6,7,8,8a-hexahydro-2h-indolizine-1,3'-indoline]one
  • (1s,6r,7r,8as)-6'-hydroxy-7-[[(1s)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-6-vinyl-spiro[3,5,6,7,8,8a-hexahydro-2h-indolizine-1,3'-indoline]-2'-one
  • (3s,6'r,7'r,8'as)-6'-ethenyl-6-hydroxy-7'-[[(1s)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]spiro[1h-indole-3,1'-3,5,6,7,8,8a-hexahydro-2h-indolizine]-2-one
  • (3s,6'r,7'r,8'as)-6-hydroxy-7'-[[(1s)-2-methyl-1,3,4,9-tetrahydro-$b-carbolin-1-yl]methyl]-6'-vinyl-spiro[indoline-3,1'-indolizidine]-2-one
  • 17-norcorynoxan-2-one, 18,19-didehydro-11-hydroxy-16-(2,3,4,9-tetrahydro-2-methyl-1h-pyrido(3,4-b)indol-1-yl)-, (16(s),20alpha)-
  • spiro(3h-indole-3,1'(5'h)-indolizin)-2(1h)-one, 6'-ethenyl-2',3',6',7',8',8'a-hexahydro-6-hydroxy-7'-(((1s)-2,3,4,9-tetrahydro-2-methyl-1h-pyrido(3,4-b)indol-1-yl)methyl)-, (1's,6'r,7'r,8'as)-
CAS Number(s)
  • 63408-17-3
InChIKey YAXAQXBFDAJGGS-OOPXJOFBSA-N
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