(1β,10Alpha,12β)-1,12-Dihydroxypimara-8(14),15-Dien-3-One

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Formula C20H30O3
IUPAC Name (4r,4as,4bs,6r,7s,10ar)-4,6-dihydroxy-1,1,4a,7-tetramethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
Molecular Mass 318.450 g·mol−1
Heat of Formation -597.0 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 406.12 Å 3
Surface Area 315.27 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,4as,4bs,6r,7s,10ar)-4,6-dihydroxy-1,1,4a,7-tetramethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
  • (4r,4as,4bs,6r,7s,10ar)-7-ethenyl-4,6-dihydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
InChIKey IPYRFKXBXYDQIC-SIXJKMNBSA-N
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