(5R,5Ar,8Ar)-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 C21H20O7
IUPAC Name (5r,5ar,8ar)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
Molecular Mass 384.379 g·mol−1
Heat of Formation -911.3 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 422.81 Å 3
Surface Area 358.03 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • (5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • 4'-demethyl-
  • 4'-demethyldeoxypodophyllotoxin
  • 4'-demethyldesoxypodophyllotoxin
  • a 80198
  • bb_nc-1064
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5r-(5-alpha,5a-beta,8a-alpha))-
  • podophyllotoxin, 4'-o-demethyl-4-deoxy- (7ci,8ci)
CAS Number(s)
  • 3590-93-0
InChIKey RFDMNXDDRXVJTM-RQUSPXKASA-N
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