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Substance Name: 12-O-Demethylcoclobine
RN: 119903-41-2
InChIKey: LMRJRQYDISGTIE-NDEPHWFRSA-N

Molecular Weight

  • 592.688
 
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Names and Synonyms

Results Name

  • 12-O-Demethylcoclobine

Synonym

  • 12-O-Demethylcoclobine

Systematic Name

  • 2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinolin-9-ol, 3,5,16a,17,18,19-hexahydro-21,22,26-trimethoxy-17-methyl-, (S)-

Registry Numbers

CAS Registry Number

  • 119903-41-2

System Generated Number

  • 0119903412

Structure Descriptors

InChI

1S/C36H36N2O6/c1-38-14-12-24-19-33(41-3)35(42-4)36-34(24)28(38)16-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)15-27-26-20-32(44-36)31(40-2)18-23(26)11-13-37-27/h5-10,17-20,28,39H,11-16H2,1-4H3/t28-/m0/s1

InChIKey

LMRJRQYDISGTIE-NDEPHWFRSA-N

Smiles

c1c2c3cc(c1OC)Oc1c4c(CC[N@@]([C@H]4Cc4ccc(cc4)Oc4c(ccc(CC3=NCC2)c4)O)C)cc(c1OC)OC