Methyl (7α,19α,20α)-19-Methyl-2-Oxoformosanan-16-Carboxylate

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Properties Simple | Detailed

Formula C21H24N2O4
IUPAC Name methyl (1s,4as,5as,6s,9r,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 -553.3 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 437.45 Å 3
Surface Area 355.14 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,5as,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,5as,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
  • methyl (1s,4as,5as,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,5as,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,5as,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-PFDNRQJHSA-N
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