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FGM

Summary
Name:(2R,3R)-2-hexyl-3-hydroxytridecanoic acid
Formula:C19 H38 O3
Formal charge:0
Formula weight:314.503 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R,3R)-2-hexyl-3-hydroxytridecanoic acid
OpenEye OEToolkits1.7.2(2R,3R)-2-hexyl-3-oxidanyl-tridecanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(CCCCCC)C(O)CCCCCCCCCC
InChIInChI1.03InChI=1S/C19H38O3/c1-3-5-7-9-10-11-12-14-16-18(20)17(19(21)22)15-13-8-6-4-2/h17-18,20H,3-16H2,1-2H3,(H,21,22)/t17-,18-/m1/s1
InChIKeyInChI1.03OYDUHHOWTJLUGL-QZTJIDSGSA-N
SMILES_CANONICALCACTVS3.370CCCCCCCCCC[C@@H](O)[C@@H](CCCCCC)C(O)=O
SMILESCACTVS3.370CCCCCCCCCC[CH](O)[CH](CCCCCC)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2CCCCCCCCCC[C@H]([C@@H](CCCCCC)C(=O)O)O
SMILESOpenEye OEToolkits1.7.2CCCCCCCCCCC(C(CCCCCC)C(=O)O)O

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건을2024-07-24부터공개중

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