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TRV

Summary
Name:6-O-octanoyl-beta-D-fructofuranose
Formula:C14 H26 O7
Formal charge:0
Formula weight:306.352 Da
Component type:D-saccharide, beta linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-O-octanoyl-beta-D-fructofuranose
OpenEye OEToolkits2.0.7[(2~{R},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl octanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1(CO)C(O)C(O)C(COC(=O)CCCCCCC)O1
InChIInChI1.03InChI=1S/C14H26O7/c1-2-3-4-5-6-7-11(16)20-8-10-12(17)13(18)14(19,9-15)21-10/h10,12-13,15,17-19H,2-9H2,1H3/t10-,12-,13+,14-/m1/s1
InChIKeyInChI1.03UJGLCJCSHGMKFA-RUZUBIRVSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCC(=O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385CCCCCCCC(=O)OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCC(=O)OCC1C(C(C(O1)(CO)O)O)O

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건을2024-07-10부터공개중

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