141545-93-9 (3,5-二咖啡酰奎宁酸甲酯,3,5-dicaffeoylquinic acid methyl ester)

CAS号:
141545-93-9
中文名称:
3,5-二咖啡酰奎宁酸甲酯
英文名称:
3,5-dicaffeoylquinic acid methyl ester
分子式:
C26H26O12
分子量:
530.477448940277

3,5-二咖啡酰奎宁酸甲酯(141545-93-9)名称与标识符

标识符

InChIKey:
VEBNYMXKXIIGFX-VOHNXBSUSA-N
Inchi:
1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1
SMILES:
COC([C@@]1(C[C@@H](OC(/C=C/C2C=C(O)C(O)=CC=2)=O)[C@@H](O)[C@H](OC(/C=C/C2C=CC(O)=C(O)C=2)=O)C1)O)=O