Methyl (3β,7Alpha,15β,19β)-19-Methyl-2-Oxoformosanan-16-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H24N2O4
IUPAC Name methyl (1r,4ar,5ar,6s,9s,10ar)-1-methyl-2'-oxo-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-indoline]-4-carboxylate
Molecular Mass 368.426 g·mol−1
Heat of Formation -542.8 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 435.41 Å 3
Surface Area 361.53 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4ar,5ar,6s,10ar)-1-methyl-2'-oxo-4-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-indoline]carboxylic acid methyl ester
  • (1r,4ar,5ar,6s,10ar)-2'-keto-1-methyl-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-indoline]-4-carboxylic acid methyl ester
  • methyl (1r,4ar,5ar,6s,10ar)-1-methyl-2'-oxo-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-1h-indole]-4-carboxylate
  • methyl (1r,4ar,5ar,6s,10ar)-1-methyl-2'-oxo-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-indoline]-4-carboxylate
  • methyl (1r,4ar,5ar,6s,10ar)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-1h-indole]-4-carboxylate
InChIKey JMIAZDVHNCCPDM-FKMGGRMGSA-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