Nemadectin

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Properties Simple | Detailed

Formula C36H52O8
IUPAC Name nemadectin
Molecular Mass 612.793 g·mol−1
Heat of Formation -1556.9 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 776.16 Å 3
Surface Area 539.0 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2ae,4e,4's,5's,6r,6's,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-((e)-1,3-dimethyl-1-butenyl)-3',4',5',6,6',7,10,11,14,15,17a,20,20a,20b-tetradecahydro-4',20,20b-trihydroxy-5',6,8,19-tetramethylspiro(11,15-methano-2h,13h,17h-furo(4,3,2-pq)(2,6)benzodioxacyclooctadecin-13,2'-(2h)pyran)-17-one
  • (6r,23s,25s)-5-o-demethyl-28-deoxy-25-((e)-1,3-dimethyl-1-butenyl)-6,28-epoxy-23-hydroxymilbemycin b
  • cl 287,088
  • f28249alpha
  • milbemycin b, 5-o-demethyl-28-deoxy-25-(1,3-dimethyl-1-butenyl)-6,28-epoxy-23-hydroxy-, (6r,23s,25s(e))-
CAS Number(s)
  • 102130-84-7
InChIKey YNFMRVVYUVPIAN-AQUURSMBSA-N
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