Troxerutin Impurity 4(13190-91-5)名称与标识符
名称
中文别名:
4',7-双(Β-羟乙基)芸香苷;曲克芦丁杂质;
英文别名:
5-hydroxy-7-(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;4',7-Bis(beta-hydroxyethyl)rutoside;Troxerutin Impurity 4;4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-;4',7-Di-O-(Hydroxyethyl)rutin;
标识符
InChIKey:
VJTPZRVCTXGNSH-BBGJXWJASA-N
Inchi:
1S/C31H38O18/c1-12-21(36)24(39)26(41)30(46-12)45-11-19-22(37)25(40)27(42)31(48-19)49-29-23(38)20-16(35)9-14(43-6-4-32)10-18(20)47-28(29)13-2-3-17(15(34)8-13)44-7-5-33/h2-3,8-10,12,19,21-22,24-27,30-37,39-42H,4-7,11H2,1H3/t12-,19+,21-,22+,24+,25-,26+,27+,30-,31?/m0/s1
SMILES:
C1(C2=CC=C(OCCO)C(O)=C2)OC2=C(C(O)=CC(OCCO)=C2)C(=O)C=1OC1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)O1