Pseudopterosin A

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Formula C25H36O6
IUPAC Name (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]tetrahydropyran-3,4,5-triol
Molecular Mass 432.550 g·mol−1
Heat of Formation -1161.3 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 532.76 Å 3
Surface Area 430.76 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.22 ± 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]oxane-3,4,5-triol
  • (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]tetrahydropyran-3,4,5-triol
InChIKey DBGVVIGAVAIWRU-GYGPFBJXSA-N
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