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Substance Name: Pederin
RN: 27973-72-4
UNII: B8F7J348GJ
InChIKey: ZNEZZONMADKYTB-VRCUBXEUSA-N

Note

  • Isolated from beetles, Paederus fuscipes.

Classification Code

  • Mutation Data

Molecular Formula

  • C25-H45-N-O9

Molecular Weight

  • 503.629
 
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Names and Synonyms

Name of Substance

  • Pederin

Synonyms

  • NSC 114781
  • Pederin
  • Pederine
  • UNII-B8F7J348GJ

Systematic Names

  • 2H-Pyran-2-acetamide, N-(6-(2,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5-dimethyl-2H-pyran-2-yl)tetrahydro-alpha-hydroxy-2-methoxy-5,6-dimethyl-4-methylene-, (2S-(2alpha(R*(R* (2S*,5S*,6S*))),4beta,6beta(R*)))- (9CI)
  • 2H-Pyran-2-glycolamide, N-((6-(2,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5-dimethyl-2H-pyran-2-yl)methoxymethyl)tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-
  • D-manno-Nonitol, 2,6-anhydro-3,5,7-trideoxy-1-C-(((2S)-hydroxy((2R,5R,6R)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl)acetyl)amino)-5,5-dimethyl-1,8,9-tri-O-methyl-, (1S)-

Registry Numbers

CAS Registry Number

  • 27973-72-4

FDA UNII

  • B8F7J348GJ

System Generated Number

  • 0027973724

Structure Descriptors

InChI

1S/C25H45NO9/c1-14-12-25(33-9,35-16(3)15(14)2)21(28)22(29)26-23(32-8)18-11-19(27)24(4,5)20(34-18)10-17(31-7)13-30-6/h15-21,23,27-28H,1,10-13H2,2-9H3,(H,26,29)/t15-,16-,17+,18+,19-,20-,21-,23+,25-/m1/s1

InChIKey

ZNEZZONMADKYTB-VRCUBXEUSA-N

Smiles

C1([C@@H](C[C@@H]([C@H](OC)NC([C@@H](O)[C@@]2(O[C@@H]([C@@H](C(C2)=C)C)C)OC)=O)O[C@@H]1C[C@H](OC)COC)O)(C)C