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U2D

Summary
Name:6-O-decanoyl-alpha-D-glucopyranose
Formula:C16 H30 O7
Formal charge:0
Formula weight:334.405 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-O-decanoyl-alpha-D-glucopyranose
OpenEye OEToolkits2.0.7[(2~{R},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl decanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)O
InChIInChI1.03InChI=1S/C16H30O7/c1-2-3-4-5-6-7-8-9-12(17)22-10-11-13(18)14(19)15(20)16(21)23-11/h11,13-16,18-21H,2-10H2,1H3/t11-,13-,14+,15-,16+/m1/s1
InChIKeyInChI1.03WVGXAJWVJXKEID-JZYAIQKZSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385CCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)O)O)O

227344

数据于2024-11-13公开中

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