Neosiphoniamolide A

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Formula C29H42IN3O6
IUPAC Name (3s,6s,12s,14e,16r,18s)-6-[(4-hydroxy-3-iodo-phenyl)methyl]-3-isopropyl-7,12,14,16,18-pentamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
Molecular Mass 655.565 g·mol−1
Heat of Formation -1130.1 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 720.11 Å 3
Surface Area 511.1 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s,12s,14e,16r,18s)-6-(4-hydroxy-3-iodo-benzyl)-3-isopropyl-7,12,14,16,18-pentamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-diquinone
  • (3s,6s,12s,14e,16r,18s)-6-[(4-hydroxy-3-iodo-phenyl)methyl]-3-isopropyl-7,12,14,16,18-pentamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
  • (3s,6s,12s,14e,16r,18s)-6-[(4-hydroxy-3-iodo-phenyl)methyl]-7,12,14,16,18-pentamethyl-3-propan-2-yl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
  • (3s,6s,12s,14e,16r,18s)-6-[(4-hydroxy-3-iodophenyl)methyl]-3-isopropyl-7,12,14,16,18-pentamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
InChIKey HADLOGUIGHOPEZ-ZCRKUDLBSA-N
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