Pseudopterosin C

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Properties Simple | Detailed

Formula C27H36O7
IUPAC Name [(3s)-3-[(s)-[(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-(2-oxoethoxy)methyl]oxiran-2-yl] acetate
Molecular Mass 472.571 g·mol−1
Heat of Formation -1375.2 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 580.11 Å 3
Surface Area 468.1 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 0.26 ± 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]-3,5-dihydroxy-oxan-4-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]-3,5-dihydroxy-tetrahydropyran-4-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]-3,5-dihydroxyoxan-4-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]-3,5-dihydroxy-4-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]-3,5-dihydroxy-tetrahydropyran-4-yl] ester
InChIKey KFGFLTUAFJTHSD-HPZAAEPWSA-N
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