(-)-Abietadiene

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Properties Simple | Detailed

Formula C20H32
IUPAC Name (4as,4br,10as)-7-isopropyl-1,1,4a-trimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene
Molecular Mass 272.468 g·mol−1
Heat of Formation -166.8 ± 16.7 kJ·mol−1
Dipole Moment 0.84 ± 1.08 D
Volume 381.81 Å 3
Surface Area 311.35 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,4br,10as)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene
  • (4as,4br,10as)-7-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene
  • (4as,4br,10as)-7-isopropyl-1,1,4a-trimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene
  • abietadiene
  • phenanthrene, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4as,4br,10as)-
CAS Number(s)
  • 35241-40-8
InChIKey BBPXZLJCPUPNGH-CMKODMSKSA-N
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