Methyl (2S,4R,5R,11R,12R)-5,11-Diisopropenyl-14-Oxo-3,13,16-Trioxatetracyclo[10.2.1.1~7,10~.0~2,4~]Hexadeca-1(15),7,9-Triene-8-Carboxylate

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Properties Simple | Detailed

Formula C21H22O6
IUPAC Name methyl (2s,4r,5r,11r,12r)-5,11-diisopropenyl-14-oxo-3,13,16-trioxatetracyclo[10.2.1.1 7,10 .0 2,4 ]hexadeca-1(15),7,9-triene-8-carboxylate
Molecular Mass 370.396 g·mol−1
Heat of Formation -624.2 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 437.68 Å 3
Surface Area 350.31 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • 3,13,16-trioxatetracyclo(10.2.1.17,10.02,4)hexadeca-1(15),7,9-triene-8-carboxylic acid, 5,11-bis(1-methylethenyl)-14-oxo-, methyl ester, (2s-(2r*,4s*,5s*,11s*,12s*))-
  • pseudopterolide
InChIKey HGJODUIUVPXWLZ-ZMKKGPNFSA-N
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