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SummaryGeometryRelated PDB entries

P5G

Summary
Name:4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)
Formula:C20 H24 O5
Formal charge:0
Formula weight:344.402 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)
OpenEye OEToolkits2.0.72-methoxy-4-[[(3~{R},4~{R})-4-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-3-yl]methyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccc(O)c(c1)OC)CC2COCC2Cc3cc(c(cc3)O)OC
InChIInChI1.03InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyInChI1.03ROGUIJKVZZROIQ-HOTGVXAUSA-N
SMILES_CANONICALCACTVS3.385COc1cc(C[C@H]2COC[C@@H]2Cc3ccc(O)c(OC)c3)ccc1O
SMILESCACTVS3.385COc1cc(C[CH]2COC[CH]2Cc3ccc(O)c(OC)c3)ccc1O
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c3)OC)O
SMILESOpenEye OEToolkits2.0.7COc1cc(ccc1O)CC2COCC2Cc3ccc(c(c3)OC)O

222624

건을2024-07-17부터공개중

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