Iso-Rhyncophylline

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Properties Simple | Detailed

Formula C22H28N2O4
IUPAC Name methyl (e)-2-[(1s,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 -572.5 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 470.93 Å 3
Surface Area 380.58 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (16e,20-alpha)-16,17-didehydro-17-methoxy-2-oxo-corynoxan-16-carboxylic acid
  • (e)-2-[(1s,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-[(3s,6'r,7's,8'as)-6'-ethyl-2-keto-spiro[indoline-3,1'-indolizidine]-7'-yl]-3-methoxy-acrylic acid methyl ester
  • 7-isorhyncophylline (8ci)
  • corynoxan-16-carboxylic acid, 16,17-didehydro-17-methoxy-2-oxo-, methyl ester, (16e,20-alpha)-
  • isorhyncophylline
  • methyl (e)-2-[(1s,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-[(3s,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-[(3s,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
CAS Number(s)
  • 6859-01-4
InChIKey DAXYUDFNWXHGBE-VKCGGMIFSA-N
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