Dehydroabietic Acid

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name (1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular Mass 300.435 g·mol−1
Heat of Formation -505.5 ± 16.7 kJ·mol−1
Dipole Moment 1.66 ± 1.08 D
Volume 389.0 Å 3
Surface Area 321.43 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-dehydroabietic acid
  • (1r,4as,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
  • (1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
  • 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid
  • 1-phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1r-(1.alpha.,4a.beta.,10a.alpha.)]-
  • 13-isopropylpodocarpa-8,11,13-trien-15-oic acid
  • abieta-8(14),9(11),12-trien-18-oic acid
  • abieta-8,11,13-trien-18-oic acid
  • abietic acid, dehydro-
  • dehydroabietate
  • lmpr01040111
CAS Number(s)
  • 1740-19-8
InChIKey NFWKVWVWBFBAOV-MISYRCLQSA-N
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