FCM

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Summary

Name:(9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
Formula:C30 H26 F N O7
Formal charge:0
Molecular weight:531.528 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
OpenEye OEToolkits1.7.6(9aS)-8-ethanoyl-N-[(2-ethyl-4-fluoranyl-naphthalen-1-yl)methyl]-3-methoxy-9a-methyl-1,7-bis(oxidanyl)-9-oxidanylidene-dibenzofuran-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc2c1c(cccc1)c(c(c2)CC)CNC(=O)c4c3OC5=CC(O)=C(C(=O)C5(c3c(O)cc4OC)C)C(=O)C
InChIInChI1.03InChI=1S/C30H26FNO7/c1-5-15-10-19(31)17-9-7-6-8-16(17)18(15)13-32-29(37)25-22(38-4)11-21(35)26-27(25)39-23-12-20(34)24(14(2)33)28(36)30(23,26)3/h6-12,34-35H,5,13H2,1-4H3,(H,32,37)/t30-/m1/s1
InChIKeyInChI1.03FSXXQAXUJKNDPO-SSEXGKCCSA-N
SMILES_CANONICALCACTVS3.370CCc1cc(F)c2ccccc2c1CNC(=O)c3c(OC)cc(O)c4c3OC5=CC(=C(C(C)=O)C(=O)[C@@]45C)O
SMILESCACTVS3.370CCc1cc(F)c2ccccc2c1CNC(=O)c3c(OC)cc(O)c4c3OC5=CC(=C(C(C)=O)C(=O)[C]45C)O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC)F
SMILESOpenEye OEToolkits1.7.6CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)C45C)C(=O)C)O)O)OC)F