(2E,4E,6E,8R,10S,12E,14R)-N-{(2S)-1-Hydroxy-3-[(1S,2S,6S)-2-Hydroxy-3-Oxo-7-Oxabicyclo[4.1.0]Hept-4-En-2-Yl]-2-Propanyl}-8,10,12,14-Tetramethyl-2,4,6,12-Hexadecatetraenamide

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Properties Simple | Detailed

Formula C29H43NO5
IUPAC Name n-[(1s)-1-(hydroxymethyl)-2-[(1s,5s,6s)-5-hydroxy-4-oxo-7-oxabicyclo[4.1.0]hept-2-en-5-yl]ethyl]-5-[(4r,5e,8s,10s)-4,6,8,10-tetramethylcycloundec-5-en-1-yl]penta-3,4-dienamide
Molecular Mass 485.655 g·mol−1
Heat of Formation -730.1 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 655.97 Å 3
Surface Area 537.13 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8r,10s,12e,14r)-n-[(1s)-1-(hydroxymethyl)-2-[(1s,2s,6s)-2-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-2-yl]ethyl]-8,10,12,14-tetramethyl-hexadeca-2,4,6,12-tetraenamide
  • (2e,4e,6e,8r,10s,12e,14r)-n-[(1s)-1-(hydroxymethyl)-2-[(1s,2s,6s)-2-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-2-yl]ethyl]-8,10,12,14-tetramethylhexadeca-2,4,6,12-tetraenamide
  • (2e,4e,6e,8r,10s,12e,14r)-n-[(1s)-2-hydroxy-1-[[(1s,2s,6s)-2-hydroxy-3-keto-7-oxabicyclo[4.1.0]hept-4-en-2-yl]methyl]ethyl]-8,10,12,14-tetramethyl-hexadeca-2,4,6,12-tetraenamide
  • (2e,4e,6e,8r,10s,12e,14r)-n-[(2s)-1-hydroxy-3-[(1s,2s,6s)-2-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-2-yl]propan-2-yl]-8,10,12,14-tetramethyl-hexadeca-2,4,6,12-tetraenamide
  • (2e,4e,6e,8r,10s,12e,14r)-n-[(2s)-1-hydroxy-3-[(1s,2s,6s)-2-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-2-yl]propan-2-yl]-8,10,12,14-tetramethylhexadeca-2,4,6,12-tetraenamide
InChIKey KSIWZCYBCSQXTA-JPOQAJQISA-N
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