(3R,5R,6S,7Z,9E)-6,13-Dichloro-5,14,16-Trihydroxy-3-Methyl-3,4,5,6-Tetrahydro-1H-2-Benzoxacyclotetradecine-1,11(12H)-Dione

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Properties Simple | Detailed

Formula C18H18Cl2O6
IUPAC Name (4e,6z,8r,9s,11s)-8,18-dichloro-9,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),4,6,15,17-pentaene-3,13-dione
Molecular Mass 401.238 g·mol−1
Heat of Formation -1046.3 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 427.27 Å 3
Surface Area 319.97 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey MQEXBOUTQRMRFJ-YBNGKKFHSA-N
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Elements H C O Cl