(3R)-14,16-Dihydroxy-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 C18H26O4
IUPAC Name (11r)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
Molecular Mass 306.397 g·mol−1
Heat of Formation -849.3 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 387.38 Å 3
Surface Area 313.1 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (11r)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
  • 1h-2-benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-14,16-dihydroxy-3-methyl-, (3r)-
InChIKey NPMCCMIBMODCMD-CYBMUJFWSA-N
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