GHS
GHS Classification Search
Deacetylasperuloside
CAS Number: 18843-01-1
IUPAC name: (4S,7S,8S,11S)-6-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-2-one
Molecular formula: C16H20O10
Molecular weight: 372.32
InChI: InChI=1S/C16H20O10/c17-2-5-1-7-10-6(14(22)24-7)4-23-15(9(5)10)26-16-13(21)12(20)11(19)8(3-18)25-16/h1,4,7-13,15-21H,2-3H2/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1
InChIKey: BDLDISNCZVBVKG-YYFGDFGFSA-N
SMILES: C1=C([C@@H]2[C@@H]3[C@H]1OC(=O)C3=CO[C@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO
EINECS: -
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