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Substance Name: Azadirachtin B
RN: 95507-03-2
InChIKey: FTNJWQUOZFUQQJ-MWGRVCEUSA-N

Molecular Formula

  • C35-H44-O16

Molecular Weight

  • 720.717
 
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Names and Synonyms

Results Name

  • Azadirachtin B

Synonym

  • Azadirachtin B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 95507-03-2

System Generated Number

  • 0095507032

Structure Descriptors

InChI

1S/C35H44O16/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/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19+,20?,21+,22-,23+,25+,28-,29+,30-,31?,32-,33-,34-,35-/m0/s1

InChIKey

FTNJWQUOZFUQQJ-MWGRVCEUSA-N

Smiles

O1[C@H]2[C@]([C@@H]3C[C@@H]1[C@@]1([C@@]3(C)O1)[C@@]1([C@@H]3[C@@]4([C@@H](C[C@H]([C@@]5([C@H]4[C@H]([C@H]1O)OC5)C(=O)OC)OC(C)=O)OC(\C(C)=C\C)=O)CO[C@@]3(C(OC)=O)O)C)(O)C=CO2