(3R,7R)-7,14,16-Trihydroxy-3-Methyl-3,4,5,6,7,8,9,10,11,12-Decahydro-1H-2-Benzoxacyclotetradecin-1-One

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Properties Simple | Detailed

Formula C18H26O5
IUPAC Name (4r,8r)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
Molecular Mass 322.396 g·mol−1
Heat of Formation -1059.2 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 397.05 Å 3
Surface Area 317.01 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,11r)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
InChIKey DWTTZBARDOXEAM-TZMCWYRMSA-N
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Elements H C O