GCIS
GlobalChemical Inventory Search
Deacetylasperulosidic acid
10-Deacetylasperulosidic acid, desacetyl asperulosidic acid, deacethyl asperulosidic acid, (1S,4aS,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid, 10-Desacetylasperulosidic acid, Deacetylasperulosidic acid, Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)-, (1S,4aS,5S,7aS)-
CAS Number: 14259-55-3
IUPAC name: (1S,4aS,5S,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
Molecular formula: C16H22O11
Molecular weight: 390.339
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-/m0/s1
InChIKey: ZVXWFPTVHBWJOU-YYFGDFGFSA-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: -
