(+)-Ferruginol

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Properties Simple | Detailed

Formula C20H30O
IUPAC Name (4bs,8as)-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
Molecular Mass 286.452 g·mol−1
Heat of Formation -345.2 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 384.62 Å 3
Surface Area 317.17 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (4bs,8as)-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
  • (4bs,8as)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
  • acon1_000701
  • megxp0_000699
CAS Number(s)
  • 514-62-5
InChIKey QXNWVJOHUAQHLM-AZUAARDMSA-N
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