7-Oxoabieta-8,11,13-Trien-18-Oic Acid

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Properties Simple | Detailed

Formula C20H26O3
IUPAC Name (1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthrene-1-carboxylic acid
Molecular Mass 314.419 g·mol−1
Heat of Formation -626.6 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 392.72 Å 3
Surface Area 324.59 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4as,10ar)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2h-phenanthrene-1-carboxylic acid
  • (1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthrene-1-carboxylic acid
  • (1r,4as,10ar)-7-isopropyl-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2h-phenanthrene-1-carboxylic acid
  • 13-isopropyl-7-oxopodocarpa-8,11,13-trien-15-oic acid
  • 7-ketodehydroabietic acid
  • 7-oxodehydroabietic acid
  • podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-7-oxo-
CAS Number(s)
  • 18684-55-4
InChIKey MSWJSDLNPCSSNW-MISYRCLQSA-N
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