Podophyllotoxin

Molecule SVG Image

Properties Simple | Detailed

Formula C22H22O8
IUPAC Name (5r,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 -1056.2 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 460.79 Å 3
Surface Area 379.66 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-podophyllotoxin
  • (5r,5ar,8ar,9r)-5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one
  • (5r,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
  • 1,3,3a,4,9,9a-hexahydro-9-hydroxy-6,7-(methylenedioxy)-4-(3',4',5'-trimethoxyphenyl)benz(f)isobenzofuran-3-one
  • 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, [5r-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]
  • b18-5c
  • bcbcmap01_000165
  • bpbio1_000974
  • condyline
  • condylox
  • d05529
  • 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-(5alpha,5abeta,8aalpha,9alpha))-
  • 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.alpha.)]-
  • mayapple isolate
  • naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl-, .gamma.-lactone
  • nd-1185
  • podofilox
  • podofilox (usan)
  • podophyllinic acid lactone
  • podophyllotoxin (8ci)
  • podophyllotoxin (ban)
  • podophyllotoxin 7
  • rd4-6269
  • sdccgmls-0066888.p001
  • smp1_000243
  • wartec
  • warticon
CAS Number(s)
  • 518-28-5
InChIKey YJGVMLPVUAXIQN-XVVDYKMHSA-N
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