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SummaryGeometryRelated PDB entries

JM9

Summary
Name:1,3-bis(13-methyltetradecanoyloxy)propan-2-yl pentadecanoate
Formula:C48 H92 O6
Formal charge:0
Formula weight:765.24 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71,3-bis(13-methyltetradecanoyloxy)propan-2-yl pentadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C48H92O6/c1-6-7-8-9-10-11-12-13-18-25-30-35-40-48(51)54-45(41-52-46(49)38-33-28-23-19-14-16-21-26-31-36-43(2)3)42-53-47(50)39-34-29-24-20-15-17-22-27-32-37-44(4)5/h43-45H,6-42H2,1-5H3
InChIKeyInChI1.06FXZBBNDITVPQLC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
SMILESCACTVS3.385CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C

224931

건을2024-09-11부터공개중

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