Mitrinermine

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Formula C22H28N2O4
IUPAC Name methyl (e)-2-[(1r,4r,6r,7s,8as)-6-ethyl-2'-oxo-spiro[3,5,6,7,8,8a-hexahydro-2h-indolizine-1,3'-indoline]-7-yl]-3-methoxy-prop-2-enoate
Molecular Mass 384.469 g·mol−1
Heat of Formation -555.9 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 474.43 Å 3
Surface Area 390.57 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-[(1r,6r,7s,8as)-6-ethyl-2'-oxo-7-spiro[3,5,6,7,8,8a-hexahydro-2h-indolizine-1,3'-indoline]yl]-3-methoxyprop-2-enoic acid methyl ester
  • (e)-2-[(3r,6'r,7's,8'as)-6'-ethyl-2-keto-spiro[indoline-3,1'-indolizidine]-7'-yl]-3-methoxy-acrylic acid methyl ester
  • methyl (e)-2-[(1r,6r,7s,8as)-6-ethyl-2'-oxo-spiro[3,5,6,7,8,8a-hexahydro-2h-indolizine-1,3'-indoline]-7-yl]-3-methoxy-prop-2-enoate
  • methyl (e)-2-[(3r,6'r,7's,8'as)-6'-ethyl-2-oxo-spiro[1h-indole-3,1'-3,5,6,7,8,8a-hexahydro-2h-indolizine]-7'-yl]-3-methoxy-prop-2-enoate
  • methyl (e)-2-[(3r,6'r,7's,8'as)-6'-ethyl-2-oxospiro[1h-indole-3,1'-3,5,6,7,8,8a-hexahydro-2h-indolizine]-7'-yl]-3-methoxyprop-2-enoate
  • rhyncophylline
CAS Number(s)
  • 76-66-4
InChIKey DAXYUDFNWXHGBE-KAXDATADSA-N
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