(19α)-19-Methyl-2-Oxoformosanan-16-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H22N2O4
IUPAC Name (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-carboxylic acid
Molecular Mass 354.400 g·mol−1
Heat of Formation -551.7 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 408.93 Å 3
Surface Area 338.01 Å 2
HOMO Energy -8.89 ± 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
  • (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-carboxylic acid
  • (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-carboxylic acid
  • (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-carboxylic acid
  • (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
  • mitraphyllic acid
CAS Number(s)
  • 10126-00-8
InChIKey BLXUPISDXRFTCK-GALDEACFSA-N
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