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Substance Name: Methoprene, compd. with beta-cyclodextrin
RN: 94123-02-1
InChIKey: VHMKDMZXROQPAG-NJMHGDMMSA-N

Molecular Formula

  • C42-H70-O35.C19-H34-O3

Molecular Weight

  • 1445.45
 
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Names and Synonyms

Results Name

  • Methoprene, compd. with beta-cyclodextrin

Synonym

  • beta-Cyclodextrin, compd. with methoprene

Systematic Name

  • 2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (E,E)-, compd. with beta-cyclodextrin (1:1)

Registry Numbers

CAS Registry Number

  • 94123-02-1

System Generated Number

  • 0094123021

Molecular Formulas

Molecular Formula

  • C42-H70-O35.C19-H34-O3

Molecular Formula Fragments

  • C19-H34-O3
  • C42-H70-O35
  • COMPONENT

Structure Descriptors

InChI

1S/C42H70O35.C19H34O3/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8-63H,1-7H2;8,11,14-16H,9-10,12-13H2,1-7H3/b;11-8+,17-14+/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-;/m1./s1

InChIKey

VHMKDMZXROQPAG-NJMHGDMMSA-N

Smiles

O1[C@@H]([C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@H](O3)CO)O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O[C@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](CO)O4)O[C@@H]4[C@@H]([C@H]([C@H](O[C@@H]1[C@@H]([C@H]2O)O)[C@H](CO)O4)O)O)O)O)CO)[C@@H](O)[C@H]3O)CO.C(\C=C(\C=C\C[C@@H](CCCC(C)(C)OC)C)C)(=O)OC(C)C