曲克芦丁(31511-30-5)名称与标识符
名称
中文别名:
曲克芦丁;3-[[6-O-(6-脱氧-alpha-l-吡喃)-beta-d-吡喃葡萄糖]氧基]-2-(3,4-二羟基苯基)-5,7-二羟基-4h-1-苯并吡喃-4-酮 三(2-羟基乙基)酯;
英文别名:
-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, tris(2-hydroxyethyl) ether;TRIHYDROXYETHYLRUTOSIDE;3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, tris(2-hydroxyethyl) ether;5,7-bis(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one;3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one,tris(2-hydroxyethyl) ether;
标识符
InChIKey:
IYVFNTXFRYQLRP-VVSTWUKXSA-N
Inchi:
1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1
SMILES:
C1(OC2=C(C(O)=CC(OCCO)=C2)C(=O)C=1O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)O1)O)C1=CC=C(OCCO)C(OCCO)=C1