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1EM

Summary
Name:(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE
Formula:C26 H50 O5
Formal charge:0
Formula weight:442.672 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1S)-2-hydroxy-1-[(nonanoyloxy)methyl]ethyl tetradecanoate
OpenEye OEToolkits1.5.0[(2S)-1-hydroxy-3-nonanoyloxy-propan-2-yl] tetradecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC(COC(=O)CCCCCCCC)CO)CCCCCCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC
InChIInChI1.03InChI=1S/C26H50O5/c1-3-5-7-9-11-12-13-14-15-17-19-21-26(29)31-24(22-27)23-30-25(28)20-18-16-10-8-6-4-2/h24,27H,3-23H2,1-2H3/t24-/m0/s1
InChIKeyInChI1.03IHUWMVGHYXVIRN-DEOSSOPVSA-N

222415

數據於2024-07-10公開中

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