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Substance Name: Neoligularidine
RN: 90364-91-3
InChIKey: ZOIAVVNLMDKOIV-JNNPZHNTSA-N

Classification Codes

  • Mutation Data
  • Natural Product

Molecular Formula

  • C21-H29-N-O7

Molecular Weight

  • 407.46
 
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Names and Synonyms

Results Name

  • Neoligularidine

Synonyms

  • (12-beta,15Z)-12-(Acetyloxy)-4-methyl-4,8-secosenecionan-8,11,16-trione
  • 4,8-Secosenecionan-8,11,16-trione, 12-(acetyloxy)-4-methyl-, (12-beta)-
  • CCRIS 5787
  • Neoligularidine

Systematic Names

  • 4,8-Secosenecionan-8,11,16-trione, 12-(acetyloxy)-4-methyl-, (12-beta,15Z)-
  • Neoligularidine

Registry Numbers

CAS Registry Number

  • 90364-91-3

System Generated Number

  • 0090364913

Structure Descriptors

InChI

1S/C21H29NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,13,17H,8-12H2,1-5H3/b15-6-,16-7-/t13-,17-,21+/m1/s1

InChIKey

ZOIAVVNLMDKOIV-JNNPZHNTSA-N

Smiles

O1[C@@H]2CC[N@@](CC=C(COC([C@@]([C@@H](CC(\C1=O)=C/C)C)(C)OC(=O)C)=O)C2=O)C