14-Hydroxyabieta-6,8,13-Triene-11,12-Dione

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Properties Simple | Detailed

Formula C20H26O3
IUPAC Name (4bs,8as)-1-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,4-dione
Molecular Mass 314.419 g·mol−1
Heat of Formation -452.2 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 391.21 Å 3
Surface Area 319.69 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • (4bs,8as)-1-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,4-dione
  • (4bs,8as)-1-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,4-quinone
  • (4bs,8as)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,4-dione
  • 1,4-phenanthrenedione, 4b,5,6,7,8,8a-hexahydro-3-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bs-trans)-
  • 12-hydroxy-abieta-6,8,12-trien-11,14-dione
  • 6,7-dehydroroyleanone
  • 6,7-dhra
CAS Number(s)
  • 6855-99-8
InChIKey DLSQHYBGHVPMAE-RBZFPXEDSA-N
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