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Substance Name: Raucaffrine
RN: 4382-56-3
InChIKey: GDXJMOGWONJRHL-RAKIVPGNSA-N

Molecular Formula

  • C21-H22-N2-O3

Molecular Weight

  • 350.4158
 
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Names and Synonyms

Results Name

  • Raucaffrine

Synonyms

  • Indole alkaloid
  • Perakine
  • Raucaffrine

Systematic Name

  • 18-Norajmalan-19-al, 17-(acetyloxy)-1,2-didehydro-1-demethyl-21-methyl-, (17R,20alpha,21beta)-

Registry Numbers

CAS Registry Number

  • 4382-56-3

System Generated Number

  • 0004382563

Structure Descriptors

InChI

1S/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12?,13-,16-,17-,18-,20+,21+/m0/s1

InChIKey

GDXJMOGWONJRHL-RAKIVPGNSA-N

Smiles

C[C@H]1[C@@H](C2C[C@@H]3N1[C@@H]4C2[C@H]([C@@]5(C4)C3=Nc6c5cccc6)OC(=O)C)C=O