Aikupikoxide D

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Properties Simple | Detailed

Formula C20H34O6
IUPAC Name methyl (2s)-2-[(3s,6r)-6-(8-hydroxy-8-methyl-4-methylene-3-oxo-nonyl)-6-methyl-dioxan-3-yl]propanoate
Molecular Mass 370.480 g·mol−1
Heat of Formation -1027.3 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 484.54 Å 3
Surface Area 386.6 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(3s,6r)-6-(8-hydroxy-8-methyl-4-methylene-3-oxononyl)-6-methyl-3-dioxanyl]propanoic acid methyl ester
  • (2s)-2-[(3s,6r)-6-[4-(4-hydroxy-4-methyl-pentyl)-3-keto-pent-4-enyl]-6-methyl-dioxan-3-yl]propionic acid methyl ester
  • methyl (2s)-2-[(3s,6r)-6-(8-hydroxy-8-methyl-4-methylene-3-oxo-nonyl)-6-methyl-dioxan-3-yl]propanoate
  • methyl (2s)-2-[(3s,6r)-6-(8-hydroxy-8-methyl-4-methylidene-3-oxo-nonyl)-6-methyl-1,2-dioxan-3-yl]propanoate
  • methyl (2s)-2-[(3s,6r)-6-(8-hydroxy-8-methyl-4-methylidene-3-oxononyl)-6-methyldioxan-3-yl]propanoate
InChIKey VQXVFFWQWCQNFB-KNBMTAEXSA-N
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