Methyl (7β,16Z,20Alpha)-16-(Methoxymethylene)-2-Oxocorynoxan-17-Oate

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Properties Simple | Detailed

Formula C22H28N2O4
IUPAC Name methyl (z)-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 -552.9 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 471.07 Å 3
Surface Area 394.17 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 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
  • 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 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 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 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
InChIKey DAXYUDFNWXHGBE-YCBKVTMHSA-N
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