Methyl (16E,20α)-16-(Methoxymethylene)-2-Oxocorynox-18-En-17-Oate

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Properties Simple | Detailed

Formula C22H26N2O4
IUPAC Name methyl (e)-2-[(1s,4r,6r,7s,8as)-2'-oxo-6-vinyl-spiro[3,5,6,7,8,8a-hexahydro-2h-indolizine-1,3'-indoline]-7-yl]-3-methoxy-prop-2-enoate
Molecular Mass 382.453 g·mol−1
Heat of Formation -460.2 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 464.68 Å 3
Surface Area 375.02 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-[(1s,6r,7s,8as)-2'-oxo-6-vinyl-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)-2-keto-6'-vinyl-spiro[indoline-3,1'-indolizidine]-7'-yl]-3-methoxy-acrylic acid methyl ester
  • methyl (e)-2-[(1s,6r,7s,8as)-2'-oxo-6-vinyl-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'-ethenyl-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'-ethenyl-2-oxospiro[1h-indole-3,1'-3,5,6,7,8,8a-hexahydro-2h-indolizine]-7'-yl]-3-methoxyprop-2-enoate
CAS Number(s)
  • 51014-29-0
InChIKey MUVGVMUWMAGNSY-VKCGGMIFSA-N
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