Malyngamide S

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Properties Simple | Detailed

Formula C26H42ClNO5
IUPAC Name (e)-n-[(e)-3-chloro-2-[(1r,2r,3s)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxo-cyclohexyl]allyl]dodec-4-enamide; methanone
Molecular Mass 484.068 g·mol−1
Heat of Formation -1109.7 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 623.86 Å 3
Surface Area 514.95 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
Synonyms
  • (e,7s)-n-[(e)-3-chloro-2-[(1r,2r,3s)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxo-cyclohexyl]prop-2-enyl]-7-methoxy-dodec-4-enamide
  • (e,7s)-n-[(e)-3-chloro-2-[(1r,2r,3s)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxocyclohexyl]prop-2-enyl]-7-methoxydodec-4-enamide
  • (e,7s)-n-[(e)-3-chloro-2-[(1r,2r,3s)-2-hydroxy-4,6-diketo-2,3,5,5-tetramethyl-cyclohexyl]prop-2-enyl]-7-methoxy-dodec-4-enamide
  • 4-dodecenamide, n-[(2e)-3-chloro-2-[(2r,3s)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxocyclohexyl]-2-propenyl]-7-methoxy-, (4e,7s)-
  • 7-methoxy-dodec-4-enoic acid [3-chloro-2-(2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxo-cyclohexyl)-allyl]-amide
  • rel-(4e,7r)-n-{(2e)-3-chloro-2-[(2s,3r)-2-hydroxy-2,3,5,5-tetramethyl-4,6-dioxocyclohexyl]prop-2-en-1-yl}-7-methoxydodec-4-enamide
InChIKey YISCQTHSBLSJHQ-JLKVJSSTSA-N
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