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Substance Name: Senecionine N-oxide
RN: 13268-67-2
InChIKey: PLGBHVNNYDZWGZ-GPUZEBNTSA-N

Note

  • Isolated from Senecio vulgaris L.

Classification Codes

  • Natural Product
  • Reproductive Effect

Molecular Formulas

  • C18-H25-N-O5
  • C18-H25-N-O6

Molecular Weight

  • 351.3965
 
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Names and Synonyms

Name of Substance

  • Senecionine N-oxide

Synonyms

  • 12-Hydroxysenecionan-11,16-dione 4-oxide
  • NSC 106677
  • Senecionine N-oxide
  • Senecionine oxide

Systematic Names

  • (1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-3,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl-, 12-oxide, (3Z,5R,6R,14aR,14bR)-
  • Senecionan-11,16-dione, 12-hydroxy-, 4-oxide

Registry Numbers

CAS Registry Number

  • 13268-67-2

Other Registry Number

  • 11045-26-4

System Generated Number

  • 0013268672

Structure Descriptors

InChI

1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1

InChIKey

PLGBHVNNYDZWGZ-GPUZEBNTSA-N

Smiles

C\C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3(=O)CC[C@@H](OC1=O)[C@@H]23