(3R,5E)-14,16-Dihydroxy-3-Methyl-3,4,7,8,9,10-Hexahydro-1H-2-Benzoxacyclotetradecine-1,11(12H)-Dione

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Formula C18H22O5
IUPAC Name (8e,11r)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),8,15,17-tetraene-3,13-dione
Molecular Mass 318.364 g·mol−1
Heat of Formation -885.1 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 388.44 Å 3
Surface Area 306.52 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (8e,11r)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),8,15,17-tetraene-3,13-dione
  • (8e,11r)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),8,15,17-tetraene-3,13-quinone
  • 1h-2-benzoxacyclotetradecin-1,11(12h)-dione, 3,4,7,8,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3r,5e)-
  • monocillin iv
InChIKey WSBASKMWDAUNEI-OGOUPESXSA-N
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