(5R,6S)-7-Methylene-8-Oxo-5-(3,4,5-Trimethoxyphenyl)-5,6,7,8-Tetrahydronaphtho[2,3-D][1,3]Dioxole-6-Carboxylic Acid

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Formula C22H20O8
IUPAC Name (7s,8r)-6-methylene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
Molecular Mass 412.389 g·mol−1
Heat of Formation -993.7 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 457.58 Å 3
Surface Area 380.58 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,8r)-5-keto-6-methylene-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
  • (7s,8r)-6-methylene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
  • (7s,8r)-6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
InChIKey HLSXUNBUCPHTDA-RTBURBONSA-N
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