Methyl (3β,7Alpha,19Alpha,20Alpha)-19-Methyl-2-Oxoformosanan-16-Carboxylate

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Properties Simple | Detailed

Formula C21H24N2O4
IUPAC Name methyl (1s,4as,5ar,6s,9s,10as)-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 -543.1 ± 16.7 kJ·mol−1
Dipole Moment 0.73 ± 1.08 D
Volume 434.84 Å 3
Surface Area 334.43 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,5ar,6s,10as)-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
  • (1s,4as,5ar,6s,10as)-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
  • 19-methyl-2-oxoformosanan-16-carboxylic acid, methyl ester
  • formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (3beta,7alpha,19alpha,20alpha)-
  • methyl (1s,4as,5ar,6s,10as)-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 (1s,4as,5ar,6s,10as)-1-methyl-2'-oxo-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-indoline]-4-carboxylate
  • methyl (1s,4as,5ar,6s,10as)-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-ZUNJVLJPSA-N
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