3,4-二咖啡酰奎宁酸

pro_cas
14534-61-3
pro_cdbregno
CCD00628079
pro_formula
C25 H24 O12
pro_molWeight
516.453

basic_info

Product_Name: 3,4-二咖啡酰奎宁酸
CAS: 14534-61-3
中文同义词: 异绿原酸B ; 3,4-二咖啡酰奎宁酸
EnglishSynonyms: ISOCHLOROGENIC ACID B(3,4') ; ISOCHLOROGENIC ACID B ; 3,4-DICAFFEOYLQUINIC ACID ; (1S,3R,4R,5R)-3,4-BIS[[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY]-1,5-DIHYDROXYCYCLOHEXANECARBOXYLIC ACID
pro_mdlNumber: MFCD08272439
pro_acceptors: 12
pro_donors: 7
pro_smile: c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2OC(=O)/C=C/c3cc(cc(c3)O)O)O)(C(=O)O)O)O)O
InChi: InChI=1S/C25H24O12/c26-15-7-14(8-16(27)10-15)3-6-22(32)37-23-19(30)11-25(35,24(33)34)12-20(23)36-21(31)5-2-13-1-4-17(28)18(29)9-13/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b5-2+,6-3+/t19-,20-,23-,25+/m1/s1
InChiKey: InChIKey=LZCZBWWWZFZYMM-APCOFQPJSA-N

property

Comments: APPEARANCE: WHITE SOLID

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