(-)-Abietic Acid

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Properties Simple | Detailed

Formula C16H22O2
IUPAC Name (1r,4as)-5-ethynyl-1,4a,6-trimethyl-3,4,7,8-tetrahydro-2h-naphthalene-7,8a-diide-1-carboxylic acid
Molecular Mass 246.345 g·mol−1
Heat of Formation -513.1 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 394.97 Å 3
Surface Area 321.62 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4ar,10ar)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid
  • (1r,4ar,4br,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
  • (1r,4ar,4br,10ar)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
  • 1-phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1r,4ar,4br,10ar)-
  • 1-phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1r-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-
  • 1-phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl- )-
  • 13-isopropylpodocarpa-7,13-dien-15-oic acid
  • 7,13-abietadien-18-oic acid
  • abieta-7,13-dien-18-oic acid
  • abietate
  • abietic acid
  • abietic acid, technical
  • l-abietic acid
  • lmpr01040063
  • podocarpa-7,13-dien-15-oic acid, 13-isopropyl-
  • sylvic acid
CAS Number(s)
  • 514-10-3
  • 72452-62-1
InChIKey RSWGJHLUYNHPMX-ONCXSQPRSA-N
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