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JU7

Summary
Name:6-cyclohexylhexyl beta-D-glucopyranoside
Formula:C18 H34 O6
Formal charge:0
Formula weight:346.459 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-cyclohexylhexyl beta-D-glucopyranoside
OpenEye OEToolkits2.0.6(2~{R},3~{R},4~{S},5~{S},6~{R})-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(C(C(C(OC1OCCCCCCC2CCCCC2)CO)O)O)O
InChIInChI1.03InChI=1S/C18H34O6/c19-12-14-15(20)16(21)17(22)18(24-14)23-11-7-2-1-4-8-13-9-5-3-6-10-13/h13-22H,1-12H2/t14-,15-,16+,17-,18-/m1/s1
InChIKeyInChI1.03IKXDBGTYPHAFNV-UYTYNIKBSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@@H](OCCCCCCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](OCCCCCCC2CCCCC2)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.6C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits2.0.6C1CCC(CC1)CCCCCCOC2C(C(C(C(O2)CO)O)O)O

218853

PDB entries from 2024-04-24

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