(3S,4S,7Z)-7-[(4E,8E)-11-(3-Furyl)-4,8-Dimethyl-4,8-Undecadien-1-Ylidene]-4-Hydroxy-3-Methyl-2-Oxocanone

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Properties Simple | Detailed

Formula C25H36O4
IUPAC Name (3s,4s,7z)-7-[(4e,8e)-11-(3-furyl)-4,8-dimethyl-undeca-4,8-dienylidene]-4-hydroxy-3-methyl-oxocan-2-one
Molecular Mass 400.551 g·mol−1
Heat of Formation -691.1 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 524.61 Å 3
Surface Area 365.13 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s,7z)-7-[(4e,8e)-11-(3-furyl)-4,8-dimethyl-undeca-4,8-dienylidene]-4-hydroxy-3-methyl-oxocan-2-one
  • (3s,4s,7z)-7-[(4e,8e)-11-(3-furyl)-4,8-dimethylundeca-4,8-dienylidene]-4-hydroxy-3-methyl-2-oxocanone
  • (3s,4s,7z)-7-[(4e,8e)-11-furan-3-yl-4,8-dimethyl-undeca-4,8-dienylidene]-4-hydroxy-3-methyl-oxocan-2-one
  • (3s,4s,7z)-7-[(4e,8e)-11-furan-3-yl-4,8-dimethylundeca-4,8-dienylidene]-4-hydroxy-3-methyloxocan-2-one
  • 2-oxocanone, 7-[(4e,8e)-11-(3-furanyl)-4,8-dimethyl-4,8-undecadienylidene]-4-hydroxy-3-methyl-, (3r,4r,7z)-
  • 7-(11-furan-3-yl-4,8-dimethyl-undeca-4,8-dienylidene)-4-hydroxy-3-methyl-oxocan-2-one
  • astakolactin
  • rel-(3r,4r,7z)-7-[(4e,8e)-11-(3-furyl)-4,8-dimethylundeca-4,8-dien-1-ylidene]-4-hydroxy-3-methyloxocan-2-one
InChIKey VRWCUJQWBMHNBO-MJGZZVEBSA-N
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