(5R,5Ar,8Ar)-5-(3,4-Dimethoxyphenyl)-5,8,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(5Ah)-One

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Properties Simple | Detailed

Formula C21H20O6
IUPAC Name (5r,5ar,8ar)-5-(3,4-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
Molecular Mass 368.380 g·mol−1
Heat of Formation -720.7 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 413.57 Å 3
Surface Area 351.32 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (5ar,8ar,9r)-9-(3,4-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • 5'-demethoxydeoxypodophyllotoxin
  • bursera microphylla b613802k088
CAS Number(s)
  • 63700-40-3
InChIKey MKWAWTRNIPHOLB-SVIJTADQSA-N
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