12-Hydroxyabieta-8(14),9(11),12-Trien-7-One

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name (4as,10as)-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
Molecular Mass 300.435 g·mol−1
Heat of Formation -479.9 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 387.87 Å 3
Surface Area 321.42 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,10as)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
  • (4as,10as)-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
  • 9(1h)-phenanthrenone, 2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (4as-trans)- (9ci)
  • podocarpa-8,11,13-trien-7-one, 12-hydroxy-13-isopropyl- (8ci)
InChIKey IPEHJNRNYPOFII-AZUAARDMSA-N
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