4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]-O-benzyl Mono-beta-D-glucuronide

分析物名称

4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]-O-benzyl Mono-beta-D-glucuronide

分子式

C28 H24 F6 O8

分子量

602.476

精确质量测定

602.138

SMILES

O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)C(c3ccc(OCc4ccccc4)cc3)(C(F)(F)F)C(F)(F)F)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C28H24F6O8/c29-27(30,31)26(28(32,33)34,16-6-10-18(11-7-16)40-14-15-4-2-1-3-5-15)17-8-12-19(13-9-17)41-25-22(37)20(35)21(36)23(42-25)24(38)39/h1-13,20-23,25,35-37H,14H2,(H,38,39)/t20-,21-,22+,23-,25+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat