PFAS
全球PFAS筛查数据库
沙苑子苷A(Complanatoside A)
4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3,5-dihydroxyphenyl]-5,7-dihydroxy-, 4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-2-(4-(β-D-glucopyranosyloxy)phenyl)-5-hydroxy-7-methoxy-, 4-[3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,6-dihydroxyphenyl β-D-glucopyranoside, 4-[3-(β-D-Glucopyranosyloxy)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl]phenyl β-D-glucopyranoside, 4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-, ComplanatosideA, Complanatoside A
CAS号: 146501-37-3
IUPAC名称: 2-[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
分子式: C27H30O18
分子量: 642.52
InChI: InChI=1S/C27H30O18/c28-5-13-16(34)19(37)21(39)26(42-13)44-24-10(32)1-7(2-11(24)33)23-25(18(36)15-9(31)3-8(30)4-12(15)41-23)45-27-22(40)20(38)17(35)14(6-29)43-27/h1-4,13-14,16-17,19-22,26-35,37-40H,5-6H2/t13-,14-,16-,17-,19+,20+,21-,22-,26+,27+/m1/s1
InChIKey: LLVOJEYSNCNXJN-XUAXIHHBSA-N
SMILES: C1=C(C=C(C(=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
EINECS: -
