伯克那滨C(720682-39-3)名称与标识符
名称
英文别名:
Burkinabin C;Benzoic acid, 4-hydroxy-3-methoxy-, (1R,2R,3R,5S)-5-carboxy-3,5-dihydroxy-1,2-cyclohexanediyl ester;4,5-o-Divanilloylquinic acid;DTXSID501029618;720682-39-3;Q4999057;HZ5FJG5GK4;(1S,3R,4R,5R)-1,3-dihydroxy-4,5-bis[(4-hydroxy-3-methoxybenzoyl)oxy]cyclohexane-1-carboxylic acid;
标识符
InChIKey:
NNIPMYIDMKBMBF-ALIIGJLFSA-N
Inchi:
1S/C23H24O12/c1-32-16-7-11(3-5-13(16)24)20(27)34-18-10-23(31,22(29)30)9-15(26)19(18)35-21(28)12-4-6-14(25)17(8-12)33-2/h3-8,15,18-19,24-26,31H,9-10H2,1-2H3,(H,29,30)/t15-,18-,19-,23+/m1/s1
SMILES:
O(C(C1C=CC(=C(C=1)OC)O)=O)[C@@H]1C[C@](C(=O)O)(C[C@H]([C@H]1OC(C1C=CC(=C(C=1)OC)O)=O)O)O