(3β)-3,16-Dihydroxypimar-8(14)-En-15-One

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Properties Simple | Detailed

Formula C20H32O3
IUPAC Name 1-[(2r,4as,4br,7s,8ar)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-2-yl]-2-hydroxy-ethanone
Molecular Mass 320.466 g·mol−1
Heat of Formation -705.8 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 413.63 Å 3
Surface Area 322.69 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r,10s,13r)-2-hydroxy-14-oxo-9,19-didehydro-5,6,7,8,9,10,11,12,13,14-decahydro-5,10:13,19-dicycloretinol
  • 1-[(2r,4as,4br,7s,8ar)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-2-yl]-2-hydroxy-ethanone
  • 1-[(2r,4as,4br,7s,8ar)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-2-yl]-2-hydroxyethanone
  • ethanone, 1-[(2r,4as,4br,7s,8ar)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-2-hydroxy-
InChIKey QPLUSCGQBUSKOF-WKKSIBQESA-N
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