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去乙酰车叶草苷酸
Scandoside
deacethyl asperulosidic acid, desacetyl asperulosidic acid, 10-Deacetylasperulosidic acid, Deacetylasperulosidic acid
CAS号: 18842-99-4
IUPAC名称: (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
分子式: C16H22O11
分子量: 390.33900
InChI: InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1
InChIKey: ZVXWFPTVHBWJOU-AWQYILTISA-N
SMILES: C1=C([C@@H]2[C@H]([C@@H]1O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
EINECS: -
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