Malyngamide U

Molecule SVG Image

Properties Simple | Detailed

Formula C23H39NO5
IUPAC Name (e,7s)-n-[(2s)-2-[(1s,6s)-6-hydroxy-3-methyl-2-oxo-cyclohex-3-en-1-yl]-2-methoxy-ethyl]-7-methoxy-dodec-4-enamide
Molecular Mass 409.559 g·mol−1
Heat of Formation -1030.3 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 549.13 Å 3
Surface Area 406.7 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (e,7s)-n-[(2s)-2-[(1s,6s)-6-hydroxy-2-keto-3-methyl-1-cyclohex-3-enyl]-2-methoxy-ethyl]-7-methoxy-dodec-4-enamide
  • (e,7s)-n-[(2s)-2-[(1s,6s)-6-hydroxy-3-methyl-2-oxo-1-cyclohex-3-enyl]-2-methoxy-ethyl]-7-methoxy-dodec-4-enamide
  • (e,7s)-n-[(2s)-2-[(1s,6s)-6-hydroxy-3-methyl-2-oxo-1-cyclohex-3-enyl]-2-methoxyethyl]-7-methoxydodec-4-enamide
  • 4-dodecenamide, n-[(2s)-2-[(1s,6s)-6-hydroxy-3-methyl-2-oxo-3-cyclohexen-1-yl]-2-methoxyethyl]-7-methoxy-, (4e,7s)-
  • 7-methoxy-dodec-4-enoic acid [2-(6-hydroxy-3-methyl-2-oxo-cyclohex-3-enyl)-2-methoxy-ethyl]-amide
  • rel-(4e,7r)-n-{(2r)-2-[(1r,6r)-6-hydroxy-3-methyl-2-oxocyclohex-3-en-1-yl]-2-methoxyethyl}-7-methoxydodec-4-enamide
InChIKey CERISUFCIISKED-GHCVQRJKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N