Epi-Podophyllotoxin

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Properties Simple | Detailed

Formula C22H22O8
IUPAC Name (5s,5ar,8ar,9r)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular Mass 414.405 g·mol−1
Heat of Formation -1058.8 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 454.16 Å 3
Surface Area 377.34 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,5ar,8ar,9r)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • epipodophyllotoxin
  • etopside
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5r,5ar,8ar,9s)-
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5r-(5-alpha,5a-beta,8a-alpha,9-beta))-
CAS Number(s)
  • 4375-07-9
InChIKey YJGVMLPVUAXIQN-LGWHJFRWSA-N
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