(6R,7R)-9-Hydroxy-7-(Hydroxymethyl)-4-(3,4,5-Trimethoxyphenyl)-5,6,7,8-Tetrahydronaphtho[2,3-D][1,3]Dioxole-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H24O9
IUPAC Name (6r,7r)-9-hydroxy-7-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid
Molecular Mass 432.421 g·mol−1
Heat of Formation -1310.2 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 488.64 Å 3
Surface Area 407.41 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-9-hydroxy-7-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid
  • (6r,7r)-9-hydroxy-7-methylol-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid
  • podophyllic acid
  • podophyllinic acid
CAS Number(s)
  • 1853-37-8
InChIKey WOCCXYCZVLIOOH-NWDGAFQWSA-N
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