Products 113443-70-2

CAS 113443-70-2 appears in our catalog under these names: Rhein–8–O–β–D–glucopyranoside, Rhein-8-O-β-D-glucopyranoside, Rhein-8-glucoside (calcium). Offered by: GLPBio, Chemat, MedChemExpress. Available pack sizes: 20mg, 10mg, Get quote.

Structural formula: {0} (CAS {1})

Glucorhein is a member of anthracenes.

Source: ChEBI

Identity
Molecular formulaC21H16CaO11
Molecular weight484.4 g/mol
IUPAC namecalcium 3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate
InChIKeyXXVBCAMVOFYHJP-WJGQHNSASA-L
SMILESC1=CC(=C2C(=C1[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C(=CC(=C4)C(=O)O)[O-])[O-].[Ca+2]

Computed by PubChem (NCBI)