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Substance Name: Celacinnine
RN: 53938-05-9
InChIKey: OROFOUPCOTVAJQ-NSFRLNINSA-N

Note

  • Spermidine alkaloid from Maytenus.

Molecular Formula

  • C25-H31-N3-O2

Molecular Weight

  • 405.5389
 
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Names and Synonyms

Name of Substance

  • Celacinnine

Systematic Name

  • 1,5,9-Triazacyclotridecan-4-one, 9-(1-oxo-3-phenyl-2-propenyl)-2-phenyl-, (S-(E))-

Registry Numbers

CAS Registry Number

  • 53938-05-9

System Generated Number

  • 0053938059

Structure Descriptors

InChI

1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1

InChIKey

OROFOUPCOTVAJQ-NSFRLNINSA-N

Smiles

c1ccc(cc1)/C=C/C(=O)N2CCCCN[C@@H](CC(=O)NCCC2)c3ccccc3