(5β,9β)-Abieta-7,13-Dien-19-Oic Acid

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Properties Simple | Detailed

Formula C20H30O2
IUPAC Name (1s,4ar,4bs,10as)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
Molecular Mass 302.451 g·mol−1
Heat of Formation -516.5 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 394.11 Å 3
Surface Area 319.16 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4ar,4bs,10as)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
  • (1s,4ar,4bs,10as)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
InChIKey RSWGJHLUYNHPMX-BWPNAZKDSA-N
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