4-Demethylepipodo Phyllotoxin

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Properties Simple | Detailed

Formula C21H20O8
IUPAC Name (5s,5ar,8as,9r)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular Mass 400.379 g·mol−1
Heat of Formation -1084.3 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 434.85 Å 3
Surface Area 372.06 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
InChIKey YVCVYCSAAZQOJI-VEFTVXKRSA-N
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Elements H C O