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9ET

Summary
Name:Murrayamine-I
Formula:C20 H19 N O4
Formal charge:0
Formula weight:337.369 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6[(3~{R})-3,5-dimethyl-9-oxidanyl-11~{H}-pyrano[3,2-a]carbazol-3-yl]methyl ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H19NO4/c1-11-8-16-14-5-4-13(23)9-17(14)21-18(16)15-6-7-20(3,25-19(11)15)10-24-12(2)22/h4-9,21,23H,10H2,1-3H3/t20-/m1/s1
InChIKeyInChI1.03HGIQTDGMLIBTAD-HXUWFJFHSA-N
SMILES_CANONICALCACTVS3.385CC(=O)OC[C@]1(C)Oc2c(C)cc3c([nH]c4cc(O)ccc34)c2C=C1
SMILESCACTVS3.385CC(=O)OC[C]1(C)Oc2c(C)cc3c([nH]c4cc(O)ccc34)c2C=C1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc2c3ccc(cc3[nH]c2c4c1O[C@@](C=C4)(C)COC(=O)C)O
SMILESOpenEye OEToolkits2.0.6Cc1cc2c3ccc(cc3[nH]c2c4c1OC(C=C4)(C)COC(=O)C)O

217705

PDB entries from 2024-03-27

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