4-({(1R,2S,3S,4R)-4-(Chloromethyl)-4-Hydroxy-2-Methoxy-3-[(2R,3R)-2-Methyl-3-(3-Methyl-2-Buten-1-Yl)-2-Oxiranyl]Cyclohexyl}Oxy)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C20H31ClO7
IUPAC Name 4-[(1r,2s,3s,4r)-4-(chloromethyl)-4-hydroxy-2-methoxy-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexoxy]-4-oxo-butanoic acid
Molecular Mass 418.909 g·mol−1
Heat of Formation -1384.3 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 500.65 Å 3
Surface Area 392.95 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 3.63 ± eV
Point Group Symmetry C1
InChIKey FKTJAQKUCINAIF-JNYDFHNISA-N
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Elements H C O Cl