(5β)-Abieta-8(14),9(11),12-Trien-18-Oic Acid

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Formula C20H28O2
IUPAC Name (1r,4as,10as)-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 -510.8 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 388.6 Å 3
Surface Area 320.33 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4as,10as)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
  • (1r,4as,10as)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
InChIKey NFWKVWVWBFBAOV-DFQSSKMNSA-N
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Elements H C O