12-Hydroxyabieta-8,11,13-Trien-20-Oic Acid

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Properties Simple | Detailed

Formula C20H28O3
IUPAC Name (4ar,10as)-6-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Molecular Mass 316.435 g·mol−1
Heat of Formation -687.5 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 398.21 Å 3
Surface Area 324.71 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,10as)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
  • (4ar,10as)-6-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
  • 4a(2h)-phenanthrenecarboxylic acid, 1,3,4,9,10,10a-tetrahydro-6-hydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4ar-trans)-
  • pisiferic acid
CAS Number(s)
  • 67494-15-9
InChIKey ATHWSPHADLLZSS-PXNSSMCTSA-N
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