Salicylihalamide B

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Formula C26H33NO5
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 439.544 g·mol−1
Heat of Formation -835.7 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 538.57 Å 3
Surface Area 376.67 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4z)-n-[(z)-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-[(z)-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
InChIKey VFCUJHFLFHQCRD-HSJVTLDRSA-N
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