(3S,4S)-4-[(2S,4E,6R,8S,9R,10R)-9-Hydroxy-4,6,8,10-Tetramethyl-7-Oxo-4-Dodecen-2-Yl]-3-Methyl-2-Oxetanone

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Properties Simple | Detailed

Formula C20H34O4
IUPAC Name (3s,4s)-4-[(e,1s,5r,7s,8r,9r)-8-hydroxy-1,3,5,7,9-pentamethyl-6-oxo-undec-3-enyl]-3-methyl-oxetan-2-one
Molecular Mass 338.482 g·mol−1
Heat of Formation -887.0 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 460.62 Å 3
Surface Area 348.17 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s)-4-[(e,1s,5r,7s,8r,9r)-8-hydroxy-1,3,5,7,9-pentamethyl-6-oxo-undec-3-enyl]-3-methyl-oxetan-2-one
  • (3s,4s)-4-[(e,1s,5r,7s,8r,9r)-8-hydroxy-1,3,5,7,9-pentamethyl-6-oxoundec-3-enyl]-3-methyl-2-oxetanone
  • (3s,4s)-4-[(e,1s,5r,7s,8r,9r)-8-hydroxy-6-keto-1,3,5,7,9-pentamethyl-undec-3-enyl]-3-methyl-oxetan-2-one
  • (3s,4s)-4-[(e,2s,6r,8s,9r,10r)-9-hydroxy-4,6,8,10-tetramethyl-7-oxo-dodec-4-en-2-yl]-3-methyl-oxetan-2-one
  • (3s,4s)-4-[(e,2s,6r,8s,9r,10r)-9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl]-3-methyloxetan-2-one
  • 2-oxetanone, 4-(8-hydroxy-1,3,5,7,9-pentamethyl-6-oxo-3-undecenyl)-3-methyl-, (3s-(3-alpha,4-beta(1r*,3e,5s*,7r*,8s*,9s*)))-
  • 3,11-dihydroxy-2,4,6,8,10,12-hexamethyl-9-oxo-6-tetradecenoic acid 1,3-lactone
  • ebelactone a microbial
InChIKey WOISDAHQBUYEAF-QIQXJRRPSA-N
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