Salicylihalamide A

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Properties Simple | Detailed

Formula C26H34NO5
IUPAC Name (e)-3-[(3e,6s,7r,9s)-7,13-dihydroxy-6-methyl-11-oxo-10-oxabicyclo[10.4.0]hexadeca-1(12),3,13,15-tetraen-9-yl]propylidene-[(2z,4z)-hepta-2,4-dienoyl]ammonium
Molecular Mass 440.552 g·mol−1
Heat of Formation -785.8 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 546.19 Å 3
Surface Area 453.04 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4z)-n-[(e)-3-[(3e,6s,7r,9s)-7,13-dihydroxy-11-keto-6-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),3,13,15-tetraen-9-yl]prop-1-enyl]hepta-2,4-dienamide
  • (2z,4z)-n-[(e)-3-[(3e,6s,7r,9s)-7,13-dihydroxy-6-methyl-11-oxo-10-oxabicyclo[10.4.0]hexadeca-1(12),3,13,15-tetraen-9-yl]prop-1-enyl]hepta-2,4-dienamide
  • (2z,4z)-n-{(1e)-3-[(3s,5r,6s,8e)-5,14-dihydroxy-6-methyl-1-oxo-3,4,5,6,7,10-hexahydro-1h-2-benzoxacyclododecin-3-yl]prop-1-en-1-yl}hepta-2,4-dienamide
  • 2,4-heptadienamide, n-[(1e)-3-[(3s,5r,6s,8e)-3,4,5,6,7,10-hexahydro-5,14-dihydroxy-6-methyl-1-oxo-1h-2-benzoxacyclododecin-3-yl]-1-propenyl]-, (2z,4z)-
CAS Number(s)
  • 198481-99-1
InChIKey VFCUJHFLFHQCRD-PFIOQAQVSA-N
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