(2E,4E,6E,8E)-10-({(1R,2S,3S,4R)-4-Hydroxy-2-Methoxy-4-Methyl-3-[(2R,3R)-2-Methyl-3-(3-Methyl-2-Buten-1-Yl)-2-Oxiranyl]Cyclohexyl}Oxy)-10-Oxo-2,4,6,8-Decatetraenoic Acid

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Properties Simple | Detailed

Formula C26H36O7
IUPAC Name (2e,4e,6e,8e)-10-[(1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexoxy]-10-oxo-deca-2,4,6,8-tetraenoic acid
Molecular Mass 460.560 g·mol−1
Heat of Formation -1062.1 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 585.37 Å 3
Surface Area 494.98 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e)-10-[(1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]cyclohexoxy]-10-oxodeca-2,4,6,8-tetraenoic acid
  • (2e,4e,6e,8e)-10-[(1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexoxy]-10-keto-deca-2,4,6,8-tetraenoic acid
  • (2e,4e,6e,8e)-10-[(1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexoxy]-10-oxo-deca-2,4,6,8-tetraenoic acid
  • (2e,4e,6e,8e)-10-[(1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]oxy-10-oxo-deca-2,4,6,8-tetraenoic acid
  • (2e,4e,6e,8e)-10-[(1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]oxy-10-oxodeca-2,4,6,8-tetraenoic acid
  • fug
InChIKey XXVWUXWNPOXVQB-ZFSLZHKLSA-N
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