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Substance Name: Dihydroazadirachtin
RN: 108189-58-8
UNII: 2D0AGQ27PT
InChIKey: YYUQYZBOLGNTQG-PLXAPUFNSA-N

Molecular Formula

  • C35-H46-O16

Molecular Weight

  • 722.7324
 
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Names and Synonyms

Results Name

  • Dihydroazadirachtin

Name of Substance

  • Dihydroazadirachtin

Synonyms

  • 22,23-Dihydroazadirachtin
  • Dihydroazadirachtin
  • UNII-2D0AGQ27PT

Systematic Names

  • 1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)-4-((1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-
  • 1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)-4-(hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-

Registry Numbers

CAS Registry Number

  • 108189-58-8

FDA UNII

  • 2D0AGQ27PT

Other Registry Number

  • 37324-45-1

System Generated Number

  • 0108189588

Structure Descriptors

InChI

1S/C35H46O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8,17-23,25,28,37,41-42H,9-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28-,29-,30+,31+,32+,33+,34+,35+/m1/s1

InChIKey

YYUQYZBOLGNTQG-PLXAPUFNSA-N

Smiles

C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(CCO[C@@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C