Mitorubrin

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Properties Simple | Detailed

Formula C21H18O7
IUPAC Name [(7r)-7-methyl-6,8-dioxo-3-[(e)-prop-1-enyl]isochromen-7-yl] 2,4-dihydroxy-6-methyl-benzoate
Molecular Mass 382.363 g·mol−1
Heat of Formation -919.7 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 431.04 Å 3
Surface Area 373.19 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dihydroxy-6-methyl-benzoic acid [(7r)-6,8-diketo-7-methyl-3-[(e)-prop-1-enyl]isochromen-7-yl] ester
  • 2,4-dihydroxy-6-methylbenzoic acid [(7r)-7-methyl-6,8-dioxo-3-[(e)-prop-1-enyl]-7-isochromenyl] ester
  • [(7r)-7-methyl-6,8-dioxo-3-[(e)-prop-1-enyl]isochromen-7-yl] 2,4-dihydroxy-6-methyl-benzoate
  • [(7r)-7-methyl-6,8-dioxo-3-[(e)-prop-1-enyl]isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
  • benzoic acid, 2,4-dihydroxy-6-methyl-, 7,8-dihydro-7-methyl-6,8-dioxo-3-(1-propenyl)-6h-2-benzopyran-7-yl ester, (r-(e))-
CAS Number(s)
  • 3403-71-2
InChIKey ZLULUXWJVBHEMS-KTBYTZPXSA-N
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