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

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Formula C22H22O7
IUPAC Name (5r,5as,8as)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
Molecular Mass 398.406 g·mol−1
Heat of Formation -872.7 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 447.89 Å 3
Surface Area 378.45 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (5as,8as,9r)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • podophyllotoxin, deoxy isomer
CAS Number(s)
  • 17187-81-4
InChIKey ZGLXUQQMLLIKAN-SMHULIPUSA-N
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