(3S,6R,9S,12S,14E,16R,18S)-6-(3-Bromo-4-Hydroxybenzyl)-3,7,9,12,14,16,18-Heptamethyl-1-Oxa-4,7,10-Triazacyclooctadec-14-Ene-2,5,8,11-Tetrone

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Properties Simple | Detailed

Formula C28H40BrN3O6
IUPAC Name (3s,6r,9s,12s,14e,16r,18s)-6-[(3-bromo-4-hydroxy-phenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
Molecular Mass 594.538 g·mol−1
Heat of Formation -1216.5 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 689.54 Å 3
Surface Area 493.99 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6r,9s,12s,14e,16r,18s)-6-(3-bromo-4-hydroxy-benzyl)-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-diquinone
  • (3s,6r,9s,12s,14e,16r,18s)-6-[(3-bromo-4-hydroxy-phenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
  • (3s,6r,9s,12s,16r,18s)-6-(3-bromo-4-hydroxy-benzyl)-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-diquinone
  • (3s,6r,9s,12s,16r,18s)-6-[(3-bromo-4-hydroxy-phenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
  • (3s,6r,9s,12s,16r,18s)-6-[(3-bromo-4-hydroxyphenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
  • geodiamolide b
InChIKey QYMMTIVLYXHSHK-SVSKSJJFSA-N
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