(3R,5E,9E)-13-Chloro-14,16-Dihydroxy-3-Methyl-3,4,7,8-Tetrahydro-1H-2-Benzoxacyclotetradecine-1,11(12H)-Dione

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Properties Simple | Detailed

Formula C18H19ClO5
IUPAC Name (4e,8e,11r)-18-chloro-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),4,8,15,17-pentaene-3,13-dione
Molecular Mass 350.793 g·mol−1
Heat of Formation -826.4 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 398.95 Å 3
Surface Area 322.22 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (4e,8e,11r)-18-chloro-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),4,8,15,17-pentaene-3,13-dione
  • (4e,8e,11r)-18-chloro-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),4,8,15,17-pentaene-3,13-quinone
InChIKey FJVQHTGEXYKKBS-CJRGTMQESA-N
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