PFAS
全球PFAS筛查数据库
川续断皂苷VI； 木通皂苷D
Asperosaponin VI
木通皂苷 D, 3-O-(triphenylmethyl)prop-1-yn-3-ol, Asperosaponin, D-Glucopyranose, 1-O-[(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-3-(α-L-arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-D-glucopyranosyl-, 1-O-[(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-3-(α-L-Arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-D-glucopyranosyl-D-glucopyranose, Asperosaponin VI
CAS号: 39524-08-8
IUPAC名称: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
分子式: C47H76O18
分子量: 929.096
InChI: InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1
InChIKey: CCRXMHCQWYVXTE-HMRSNRLKSA-N
SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)(C)CO)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O
EINECS: -
