14-Hydroxyabieta-8,13-Diene-11,12-Dione

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Formula C20H28O3
IUPAC Name (4bs,8as)-1-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
Molecular Mass 316.435 g·mol−1
Heat of Formation -559.1 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 398.07 Å 3
Surface Area 323.43 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (4bs,8as)-1-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
  • (4bs,8as)-1-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-quinone
  • (4bs,8as)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
  • royleanone
CAS Number(s)
  • 6812-87-9
InChIKey XBJOAZYNSZDFSF-RBZFPXEDSA-N
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