(4R,10S)-10,11,13-Trihydroxy-4-Methyl-1,4,5,6,7,8,9,10-Octahydro-2H-3-Benzoxacyclododecin-2-One

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Properties Simple | Detailed

Formula C16H22O5
IUPAC Name (5r,11s)-11,13,15-trihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-3-one
Molecular Mass 294.343 g·mol−1
Heat of Formation -993.6 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 352.22 Å 3
Surface Area 280.46 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
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InChIKey XXERLAIMBWOKOC-MFKMUULPSA-N
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