(5R,5Ar,8As,9S)-9-{[2-(Dimethylamino)Ethyl]Amino}-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-5,8,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(5Ah)-One

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Properties Simple | Detailed

Formula C25H26N2O7
IUPAC Name (5s,5as,8ar,9r)-5-[2-(dimethylamino)ethylamino]-9-[7-(oxomethylene)-1,3-benzodioxol-7a-id-5-yl]-5a,6,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular Mass 466.483 g·mol−1
Heat of Formation -877.5 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 547.95 Å 3
Surface Area 450.98 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,5ar,8as,9s)-9-(2-dimethylaminoethylamino)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • (5r,5ar,8as,9s)-9-(2-dimethylaminoethylamino)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • 4'-o-demethyl-4-((2''-(dimethylamino)ethyl)amino)-4-desoxypodophyllotoxin
  • 9-((2-(dimethylamino)ethyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one (5r-(5alpha,5abeta,8aalpha,9beta))-
  • ddadptx
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 9-((2-(dimethylamino)ethyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5r-(5alpha,5abeta,8aalpha,9beta))-
CAS Number(s)
  • 152833-15-3
InChIKey PGHGGOHEWBODPG-AZIXLERZSA-N
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