Kuhistaferone

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Properties Simple | Detailed

Formula C22H30O6
IUPAC Name [(2r,3r,3as,4r,6ar)-2-hydroxy-6a-isopropyl-4-methyl-4-(3-oxobutyl)-3,3a,5,6-tetrahydro-2h-cyclopenta[b]furan-3-yl] 4-hydroxybenzoate
Molecular Mass 390.470 g·mol−1
Heat of Formation -1166.5 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 483.66 Å 3
Surface Area 386.65 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,6ar)-2-hydroxy-6a-isopropyl-4-methyl-4-(3-oxobutyl)hexahydro-2h-cyclopenta[b]furan-3-yl rel-4-hydroxybenzoate
  • 4-hydroxy-benzoic acid 2-hydroxy-6a-isopropyl-4-methyl-4-(3-oxo-butyl)-hexahydro-cyclopenta[b]furan-3-yl ester
  • 4-hydroxybenzoic acid [(2r,3r,3as,4r,6ar)-2-hydroxy-6a-isopropyl-4-(3-ketobutyl)-4-methyl-3,3a,5,6-tetrahydro-2h-cyclopenta[d]furan-3-yl] ester
  • 4-hydroxybenzoic acid [(2r,3r,3as,4r,6ar)-2-hydroxy-6a-isopropyl-4-methyl-4-(3-oxobutyl)-3,3a,5,6-tetrahydro-2h-cyclopenta[d]furan-3-yl] ester
  • [(2r,3r,3as,4r,6ar)-2-hydroxy-4-methyl-4-(3-oxobutyl)-6a-propan-2-yl-3,3a,5,6-tetrahydro-2h-cyclopenta[d]furan-3-yl] 4-hydroxybenzoate
  • [(2r,3r,3as,4r,6ar)-2-hydroxy-6a-isopropyl-4-methyl-4-(3-oxobutyl)-3,3a,5,6-tetrahydro-2h-cyclopenta[d]furan-3-yl] 4-hydroxybenzoate
  • benzoic acid, 4-hydroxy-, (2r,3r,4r,6ar)-hexahydro-2-hydroxy-4-methyl-6a-(1-methylethyl)-4-(3-oxobutyl)-2h-cyclopenta[b]furan-3-yl ester
InChIKey NXAOPHXQGPBAHR-FTSHXLFYSA-N
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