Names
IUPAC name (2R,3R)-6-(β-D-Glucopyranosyl)-3,3′,5,5′,7-pentahydroxyflavan-4-one
Systematic IUPAC name (2R,3R)-2-(3,5-Dihydroxyphenyl)-3,5,7-trihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-1-benzopyran-4-one
Identifiers
3D model (JSmol)
ChemSpiderY
PubChem CID
CompTox Dashboard (EPA)
InChI InChI=1S/C21H22O12/c22-5-11-14(26)17(29)19(31)21(33-11)12-9(25)4-10-13(15(12)27)16(28)18(30)20(32-10)6-1-7(23)3-8(24)2-6/h1-4,11,14,17-27,29-31H,5H2/t11-,14-,17+,18+,19-,20-,21+/m1/s1NKey: DBEVFDSIUAOFPU-FWCPWLSYSA-NN
SMILES c1c(cc(cc1O)O)[C@@H]2[C@H](C(=O)c3c(cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O2)O
Properties
Chemical formulaC21H22O12
Molar mass466.39 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references