5-Epi-Isospongiaquinone

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Properties Simple | Detailed

Formula C22H30O4
IUPAC Name 3-[[(1s,2r,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2-hydroxy-5-methoxy-1,4-benzoquinone
Molecular Mass 358.471 g·mol−1
Heat of Formation -628.1 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 445.23 Å 3
Surface Area 346.78 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey LKNAVZKSKJJHQH-SRBBEKPSSA-N
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Elements H C O