(2S,3R,4R)-3,4-Dihydroxy-2-Methoxy-4-Methyl-3-[(2S,3R)-2-Methyl-3-(3-Methyl-2-Buten-1-Yl)-2-Oxiranyl]Cyclohexanone

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Properties Simple | Detailed

Formula C16H26O5
IUPAC Name (2s,3r,4r)-3,4-dihydroxy-2-methoxy-4-methyl-3-[(2s,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexanone
Molecular Mass 298.375 g·mol−1
Heat of Formation -879.9 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 375.27 Å 3
Surface Area 314.17 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 3.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r)-3,4-dihydroxy-2-methoxy-4-methyl-3-[(2s,3r)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-1-cyclohexanone
  • (2s,3r,4r)-3,4-dihydroxy-2-methoxy-4-methyl-3-[(2s,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-one
  • 3,4-dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl) -oxiranyl]-cyclohexanone
  • ova
InChIKey UOXVFQCRPDLSFN-DGXTUMSLSA-N
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