(5β,9β,10Alpha,13Alpha)-Pimara-8(14),15-Dien-18-Oic Acid

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Properties Simple | Detailed

Formula C20H30O2
IUPAC Name (1r,4as,4br,7r,10as)-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2h-phenanthrene-1-carboxylic acid
Molecular Mass 302.451 g·mol−1
Heat of Formation -482.5 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 396.97 Å 3
Surface Area 311.19 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4as,4br,7r,10as)-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2h-phenanthrene-1-carboxylic acid
  • (1r,4as,4br,7r,10as)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2h-phenanthrene-1-carboxylic acid
InChIKey MHVJRKBZMUDEEV-XIHRTOKZSA-N
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