4-Demethylepipodo Phyllotoxin

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Properties Simple | Detailed

Formula C21H20O8
IUPAC Name (5s,5ar,8ar,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 -1085.3 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 429.58 Å 3
Surface Area 359.78 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-4'-demethylepipodophyllotoxin
  • (5s,5ar,8ar,9r)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • (5s,5ar,8ar,9r)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • 4'-demethylepipodophyllotoxin
  • epipodophyllotoxin, 4'-demethyl-
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5r-(5-alpha,5a-beta,8a-alpha,9-beta))-
  • furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5r,5ar,8ar,9s)-
CAS Number(s)
  • 6559-91-7
InChIKey YVCVYCSAAZQOJI-JHQYFNNDSA-N
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