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HJM

Summary
Name:(5beta)-12-methoxyibogamine
Formula:C20 H26 N2 O
Formal charge:0
Formula weight:310.433 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5beta)-12-methoxyibogamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N14CC2CC(C1C(C2)c3nc5c(c3CC4)cc(OC)cc5)CC
InChIInChI1.03InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1
InChIKeyInChI1.03HSIBGVUMFOSJPD-CFDPKNGZSA-N
SMILES_CANONICALCACTVS3.385CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@@](CCc4c3[nH]c5ccc(OC)cc45)C2
SMILESCACTVS3.385CC[CH]1C[CH]2C[CH]3[CH]1[N](CCc4c3[nH]c5ccc(OC)cc45)C2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC
SMILESOpenEye OEToolkits2.0.7CCC1CC2CC3C1N(C2)CCc4c3[nH]c5c4cc(cc5)OC

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건을2024-10-16부터공개중

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