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Substance Name: 10-Demethylcephaeline
RN: 29700-91-2
InChIKey: QBNRQKFLWJOWBD-IKPGRFEGSA-N

Molecular Formula

  • C27-H36-N2-O4

Molecular Weight

  • 452.591
 
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Names and Synonyms

Results Name

  • 10-Demethylcephaeline

Synonyms

  • (-)-10-Demethylcephaeline
  • 10-Demethylcephaeline
  • Emetan-6',11-diol, 7',10-dimethoxy-

Systematic Name

  • 2H-Benzo(a)quinolizin-10-ol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-methoxy-2-(((1R)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-1-isoquinolinyl)methyl)-, (2S,3R,11bS)-

Registry Numbers

CAS Registry Number

  • 29700-91-2

System Generated Number

  • 0029700912

Structure Descriptors

InChI

1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)25(31)13-21(18)23(29)10-19(16)9-22-20-14-27(33-3)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22+,23-/m0/s1

InChIKey

QBNRQKFLWJOWBD-IKPGRFEGSA-N

Smiles

c12c(CC[N@@]3C[C@@H]([C@H](C[C@@H]13)C[C@H]1NCCc3cc(c(cc13)OC)O)CC)cc(c(c2)O)OC