PFAS
全球PFAS筛查数据库
白头翁皂苷A3(Anemoside A3)
白头翁皂苷A3, Pulchinenoside A, Lup-20(29)-en-28-oic acid, 3-[[2-O-(6-deoxy-α-D-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxy-, (3β)-, Lup-20(29)-en-28-oic acid, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxy-, (3β)-, Anemoside A3, (3β)-3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-oic acid, (3β)-3-{[2-O-(6-Deoxy-α-D-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-oic acid
CAS号: 129724-84-1
IUPAC名称: (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
分子式: C41H66O12
分子量: 750.956
InChI: InChI=1S/C41H66O12/c1-20(2)22-10-15-41(36(48)49)17-16-39(6)23(28(22)41)8-9-26-37(4)13-12-27(38(5,19-42)25(37)11-14-40(26,39)7)52-35-33(30(45)24(43)18-50-35)53-34-32(47)31(46)29(44)21(3)51-34/h21-35,42-47H,1,8-19H2,2-7H3,(H,48,49)/t21-,22-,23+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,37-,38-,39+,40+,41-/m0/s1
InChIKey: ISNDTNDJSXYNKT-DVIRKNLQSA-N
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H]7[C@@H](CC[C@@]7(CC[C@]6([C@@]5(CC[C@H]4[C@]3(C)CO)C)C)C(=O)O)C(=C)C)C)O)O)O)O)O
EINECS: -
