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9XX

Summary
Name:(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate
Synonyms:(S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate
Formula:C38 H74 O4
Formal charge:0
Formula weight:594.992 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate
OpenEye OEToolkits2.0.6[(2~{S})-1-hexadecanoyloxypropan-2-yl] (10~{S})-10-methyloctadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C
InChIInChI1.03InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1
InChIKeyInChI1.03LWLNRPPCJIGPLI-ZPGRZCPFSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCC[C@@H](C)CCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCC[CH](C)CCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCC[C@@H](C)CCCCCCCC
SMILESOpenEye OEToolkits2.0.6CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC(C)CCCCCCCC

223532

건을2024-08-07부터공개중

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