(3R,7S)-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,8s)-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 -1059.5 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 395.08 Å 3
Surface Area 316.51 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,11r)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
  • oprea1_010633
InChIKey DWTTZBARDOXEAM-OCCSQVGLSA-N
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