50767-71-0
2,3,4-TRI-O-BENZOYL-D-GLUCURONIDE METHYL ESTER
Name
2,3,4-TRI-O-BENZOYL-D-GLUCURONIDE METHYL ESTER
pro_formula
C28 H24 O10
pro_molWeight
520.488
1Identification
【Name】
2,3,4-TRI-O-BENZOYL-D-GLUCURONIDE METHYL ESTER
【CAS】
【MDL】
MFCD09841359
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C28 H24 O10
【pro_molWeight】
520.488
【Inchi】
InChI=1S/C28H24O10/c1-34-27(32)22-20(35-24(29)17-11-5-2-6-12-17)21(36-25(30)18-13-7-3-8-14-18)23(28(33)38-22)37-26(31)19-15-9-4-10-16-19/h2-16,20-23,28,33H,1H3/t20-,21-,22-,23+,28-/m0/s1
【InChIKey】
InChIKey=QGJKDUIQLRJYBH-RBKSQOMQSA-N
【SMILES】
COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:10
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2,3,4-TRI-O-BENZOYL-D-GLUCURONIDE METHYL ESTER.cml
quick_release
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