Rubiginosin A

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Properties Simple | Detailed

Formula C23H24O9
IUPAC Name [(6r,7r)-3-[(e)-3-acetyloxyprop-1-enyl]-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-6-yl] 2,4-dihydroxy-6-methyl-benzoate
Molecular Mass 444.431 g·mol−1
Heat of Formation -861.3 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 505.36 Å 3
Surface Area 421.51 Å 2
Point Group Symmetry C1
Synonyms
  • 2,4-dihydroxy-6-methyl-benzoic acid [(6r,7r)-3-[(e)-3-acetoxyprop-1-enyl]-7-hydroxy-8-keto-7-methyl-5,6-dihydro-1h-isochromen-6-yl] ester
  • 2,4-dihydroxy-6-methylbenzoic acid [(6r,7r)-3-[(e)-3-acetoxyprop-1-enyl]-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-6-yl] ester
  • [(6r,7r)-3-[(e)-3-acetoxyprop-1-enyl]-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-6-yl] 2,4-dihydroxy-6-methyl-benzoate
  • [(6r,7r)-3-[(e)-3-acetyloxyprop-1-enyl]-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-6-yl] 2,4-dihydroxy-6-methyl-benzoate
  • [(6r,7r)-3-[(e)-3-acetyloxyprop-1-enyl]-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-6-yl] 2,4-dihydroxy-6-methylbenzoate
InChIKey ZDAMBVJOZXCGPS-PYDVXLROSA-N
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