Hirsutellide A

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Properties Simple | Detailed

Formula C36H48N4O8
IUPAC Name (6s,9r,15s,18r)-9,18-dibenzyl-4,13-dimethyl-6,15-bis[(1r)-1-methylpropyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular Mass 664.788 g·mol−1
Heat of Formation -1419.6 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 841.79 Å 3
Surface Area 589.71 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,9r,15s,18r)-4,13-dimethyl-9,18-bis(phenylmethyl)-6,15-disec-butyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
  • (6s,9r,15s,18r)-6,15-bis[(2r)-butan-2-yl]-4,13-dimethyl-9,18-bis(phenylmethyl)-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
  • (6s,9r,15s,18r)-9,18-bis(benzyl)-4,13-dimethyl-6,15-disec-butyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-triquinone
  • 1,10-dioxa-4,7,13,16-tetraazacyclooctadecane-2,5,8,11,14,17-hexone, 4,13-dimethyl-6,15-bis[(1r)-1-methylpropyl]-9,18-bis(phenylmethyl)-, (6s,9r,15s,18r)-
  • 9,18-dibenzyl-6,15-di-sec-butyl-4,13-dimethyl-1,10-dioxa-4,7,13,16-tetraaza-cyclooctadecane-2,5,8,11,14,17-hexaone
  • rel-(6r,9s,15r,18s)-9,18-dibenzyl-4,13-dimethyl-6,15-bis[(1s)-1-methylpropyl]-1,10-dioxa-4,7,13,16-tetraazacyclooctadecane-2,5,8,11,14,17-hexone
InChIKey PMRINUPHTRWJOC-BZPSDGNJSA-N
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