5-Methoxypodophyllotoxin

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Properties Simple | Detailed

Formula C23H24O9
IUPAC Name (5r,5ar,8ar,9r)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular Mass 444.431 g·mol−1
Heat of Formation -1215.1 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 491.42 Å 3
Surface Area 398.92 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,5ar,8ar,9r)-9-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • (5r-(5alpha,5abeta,8aalpha,9alpha))-5,8,8a,9-tetrahydro-9-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-, (5r-(5alpha,5abeta,8aalpha,9alpha))-
CAS Number(s)
  • 128443-52-7
InChIKey PDQAOYGENRRPQO-UXDKQJBESA-N
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