(10α,12Beta)-12,18-Dihydroxypimara-8(14),15-Dien-3-One

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Properties Simple | Detailed

Formula C20H30O3
IUPAC Name (1r,4as,4bs,6r,7s,10ar)-6-hydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
Molecular Mass 318.450 g·mol−1
Heat of Formation -588.9 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 404.86 Å 3
Surface Area 311.2 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 3.80 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4as,4bs,6r,7s,10ar)-6-hydroxy-1,4a,7-trimethyl-1-methylol-7-vinyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
  • (1r,4as,4bs,6r,7s,10ar)-6-hydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
  • (1r,4as,4bs,6r,7s,10ar)-7-ethenyl-6-hydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
  • 2(1h)-phenanthrenone, 7-ethenyl-3,4,4a,4b,5,6,7,9,10,10a-decahydro-6-hydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-, (1r,4as,4bs,6r,7s,10ar)-
InChIKey JIBFELDYWDCIJI-GJRGARDJSA-N
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