Mycaperoxide

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Properties Simple | Detailed

Formula C24H40O4
IUPAC Name (2s)-2-[(3s,6r)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyl-dioxan-3-yl]propanoic acid
Molecular Mass 392.572 g·mol−1
Heat of Formation -774.9 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 517.94 Å 3
Surface Area 398.96 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(3s,6r)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyl-1,2-dioxan-3-yl]propanoic acid
  • (2s)-2-[(3s,6r)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyl-3-dioxanyl]propanoic acid
  • (2s)-2-[(3s,6r)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyl-dioxan-3-yl]propanoic acid
  • (2s)-2-[(3s,6r)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyl-dioxan-3-yl]propionic acid
  • (2s)-2-[(3s,6r)-6-[2-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyldioxan-3-yl]propanoic acid
InChIKey GDGRBTCRWIRALV-LXCIQGLGSA-N
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