Mitraphylline

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Properties Simple | Detailed

Formula C21H24N2O4
IUPAC Name methyl (1s,4as,5as,6r,9r,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 -530.0 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 436.78 Å 3
Surface Area 350.76 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,5as,6r,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
  • (1s,4as,5as,6r,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 (1s,4as,5as,6r,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 (1s,4as,5as,6r,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 (1s,4as,5as,6r,10ar)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-1h-indole]-4-carboxylate
  • methyl 19alpha-methyl-2-oxoformosanan-16-carboxylate
CAS Number(s)
  • 509-80-8
InChIKey JMIAZDVHNCCPDM-DAFCLMLCSA-N
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