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98R

Summary
Name:[(2S)-2-[(E)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate
Formula:C39 H72 O5
Formal charge:0
Formula weight:620.986 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S})-2-[(~{E})-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,37,40H,3-14,19-36H2,1-2H3/b17-15?,18-16+/t37-/m0/s1
InChIKeyInChI1.03UGRFXJLWUONJDY-NVXOQYPQSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCC=CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C/CCCCCCC
SMILESCACTVS3.385CCCCCCCC=CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCC=CCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCC=CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C/CCCCCCC
SMILESOpenEye OEToolkits2.0.7CCCCCCCC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CCCCCCCC

223532

數據於2024-08-07公開中

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