EVS

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Summary

Name:16-epi-Vellosimine
Formula:C19 H20 N2 O
Formal charge:0
Molecular weight:292.375 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(16S,19E)-sarpagan-17-al

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=CC4C5\C(=C/C)CN3C(c2nc1ccccc1c2CC34)C5
SMILES_CANONICALCACTVS3.341C\C=C1\CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@@H]3C=O
SMILESCACTVS3.341CC=C1CN2[CH]3Cc4c([nH]c5ccccc45)[CH]2C[CH]1[CH]3C=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C\C=C/1\C[N@@]2[C@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@@H]1[C@@H]3C=O
SMILESOpenEye OEToolkits1.5.0CC=C1CN2C3Cc4c5ccccc5[nH]c4C2CC1C3C=O
InChIInChI1.03InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15-,17-,18-/m0/s1
InChIKeyInChI1.03MHASSCPGKAMILD-MIOJWWSHSA-N