(6β,9β)-13-(3-Hydroxy-4-Methylphenyl)-8-Methylpodocarp-12-En-6-Yl Acetate

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Properties Simple | Detailed

Formula C27H38O3
IUPAC Name [(4ar,4br,8as,9r,10ar)-2-(3-hydroxy-4-methyl-phenyl)-4b,8,8,10a-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-1h-phenanthren-9-yl] acetate
Molecular Mass 410.589 g·mol−1
Heat of Formation -657.1 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 529.38 Å 3
Surface Area 406.39 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
InChIKey CCXWTNLPPHXPFG-ZKNNFSDBSA-N
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