Pseudopterosin B

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Properties Simple | Detailed

Formula C27H38O7
IUPAC Name [(1r,2s)-2-[[(4s,6s,6ar,9s)-2-hydroxy-3,6,9-trimethyl-4-(2-methylallyl)-5,6,6a,7,8,9-hexahydro-4h-phenalen-1-yl]oxy]-1-formyl-2-(2-oxoethoxy)ethyl] acetate
Molecular Mass 474.586 g·mol−1
Heat of Formation -1366.9 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 582.51 Å 3
Surface Area 456.01 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 3.34 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4s,5r)-2-[[(4r,6s,6ar,9s)-2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4h-phenalen-1-yl]oxy]-4,5-dihydroxy-oxan-3-yl] ethanoate
  • [(2s,3r,4s,5r)-2-[[(4r,6s,6ar,9s)-2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4h-phenalen-1-yl]oxy]-4,5-dihydroxy-tetrahydropyran-3-yl] acetate
  • [(2s,3r,4s,5r)-2-[[(4r,6s,6ar,9s)-2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4h-phenalen-1-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate
  • acetic acid [(2s,3r,4s,5r)-2-[[(4r,6s,6ar,9s)-2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4h-phenalen-1-yl]oxy]-4,5-dihydroxy-3-tetrahydropyranyl] ester
  • acetic acid [(2s,3r,4s,5r)-2-[[(4r,6s,6ar,9s)-2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4h-phenalen-1-yl]oxy]-4,5-dihydroxy-tetrahydropyran-3-yl] ester
InChIKey UDURMGJKGORCRS-PSXKBTAYSA-N
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