1-[(4As,5R,7S,8Ar)-5-{[(1S,2R,5S,9S,11R,13S,17R)-11,14-Dimethyl-6,14-Diazatetracyclo[7.6.2.0~2,7~.0~13,17~]Heptadec-6-En-5-Yl]Methyl}-7-Methyloctahydro-1(2H)-Quinolinyl]Ethanone

Molecule SVG Image

Properties Simple | Detailed

Formula C30H49N3O
IUPAC Name 1-[(4as,5r,7s,8ar)-5-{[(1s,2r,5s,9s,11r,13s,17r)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.0 2,7 .0 13,17 ]heptadec-6-en-5-yl]methyl}-7-methyloctahydro-1(2h)-quinolinyl]ethanone
Molecular Mass 467.730 g·mol−1
Heat of Formation 929.2 ± 16.7 kJ·mol−1
Dipole Moment 14.13 ± 1.08 D
Volume 606.63 Å 3
Surface Area 446.66 Å 2
HOMO Energy -5.71 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,5s,9s,11r,13s,17r)-5-{[(4as,5r,7s,8ar)-1-acetyl-7-methyldecahydroquinolin-5-yl]methyl}-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.0(2,7).0(13,17)]heptadec-6-ene
  • (4as,5r,7s,8ar)-1-acetyl-5-[[(2s,4ar,5s,6ar,7s,9r,10as)-3,4,4a,5,6,6a,7,8,9,10,10a,11-dodecahydro-9,12-dimethyl-7,5-(iminomethano)-2h-benzo[5,6]cyclohepta[1,2-b]pyridin-2-yl]methyl]decahydro-7-methylquinoline
  • quinoline, 1-acetyl-5-((2,3,4,4a,6,6a,7,8,9,10,10a,11-dodecahydro-9,12-dimethyl-7,5-(iminomethano)-5h-benzo(5,6)cyclohepta(1,2-b)pyridin-2-yl)methyl)decahydro-7-methyl-
  • serratanine a
CAS Number(s)
  • 1361-15-5
InChIKey ZGALAVFQYJOLRQ-XLMCSZFMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N