InChI=1S/C30H24Cl3NO10/c1-39-27(38)22-20(40-24(35)17-11-5-2-6-12-17)21(41-25(36)18-13-7-3-8-14-18)23(28(43-22)44-29(34)30(31,32)33)42-26(37)19-15-9-4-10-16-19/h2-16,20-23,28,34H,1H3/t20-,21-,22-,23+,28+/m0/s1

【InChIKey】

InChIKey=NEJKVTFPWPZGFX-WLGPCAMQSA-N

【SMILES】

COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4

【MOL File】

2,3,4-TRI-O-BENZOYL-….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:11

XLogP3:6.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

2,3,4-TRI-O-BENZOYL-ALPHA-D-GLUCURONIDE METHYL ESTER TRICHLOROACETIMIDATE.cml

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169557-99-7 2,3,4-TRI-O-BENZOYL-ALPHA-D-GLUCURONIDE METHYL ESTER TRICHLOROACETIMIDATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】