Iso-Mallotochromanol

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Properties Simple | Detailed

Formula C24H28O9
IUPAC Name 1-[3-[[(3s)-6-acetyl-3,5,7-trihydroxy-2,2-dimethyl-chroman-8-yl]methyl]-2,6-dihydroxy-4-methoxy-5-methyl-phenyl]ethanone
Molecular Mass 460.474 g·mol−1
Heat of Formation -1579.5 ± 16.7 kJ·mol−1
Dipole Moment 8.59 ± 1.08 D
Volume 523.58 Å 3
Surface Area 406.66 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
InChIKey XBXKUYYCBXJGEN-OAHLLOKOSA-N
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Elements H C O