(3S,5E,9E)-16-Hydroxy-3-Methyl-3,4,7,8-Tetrahydro-1H-2-Benzoxacyclotetradecine-1,11(12H)-Dione

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Properties Simple | Detailed

Formula C18H20O4
IUPAC Name (4e,8e,11s)-15-hydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),4,8,15,17-pentaene-3,13-dione
Molecular Mass 300.349 g·mol−1
Heat of Formation -581.4 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 372.62 Å 3
Surface Area 304.69 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-2-benzoxacyclotetradecin-1,11(12h)-dione, 3,4,7,8-tetrahydro-16-hydroxy-3-methyl-, (3s)-
  • monocillin ii
InChIKey LSIFWWADIGESKN-UIWFPMPVSA-N
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