(3E)-4-[(1R,4S,5S,6R)-1,4,5-Trihydroxy-2,2,6-Trimethylcyclohexyl]-3-Buten-2-One

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Formula C13H22O4
IUPAC Name (e)-4-[(1r,4s,5s,6r)-1,4,5-trihydroxy-2,2,6-trimethyl-cyclohexyl]but-3-en-2-one
Molecular Mass 242.311 g·mol−1
Heat of Formation -830.5 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 307.26 Å 3
Surface Area 260.99 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 3.15 ± eV
Point Group Symmetry C1
InChIKey OJRIULXCUMIXBT-VZTUNGRISA-N
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