3,4,5,6,9,10-Hexahydro-5,14,16-Trihydroxy-3-Methyl-1H-2-Benzoxacyclotetradecin-1,7(8H)-Dione

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Properties Simple | Detailed

Formula C18H22O6
IUPAC Name (2e,9r,11s)-9,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
Molecular Mass 334.364 g·mol−1
Heat of Formation -1069.3 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 398.75 Å 3
Surface Area 327.55 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
InChIKey GJFPDPNMJOCHCT-IVDNPREJSA-N
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