Products 42553-65-1
CAS 42553-65-1 appears in our catalog under these names: Crocin I, min. 95 %, 1 g, bis(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate, 95%, Crocin, >95% (HPLC), Crocin, Crocin/ 98.94% (existing batch purity). Offered by: Roth, Combi-blocks, TRC, GLPBio, TargetMol. Available pack sizes: 1g, 5g, 25g, 100mg, 10mg, 5mg, 50mg, 20mg.
Crocin-1 is a diester that is crocetin in which both of the carboxy groups have been converted to their gentiobiosyl esters. It is one of the water-soluble yellow-red pigments of saffron and is used as a spice for flavouring and colouring food. Note that in India, the term 'Crocin' is also used by GlaxoSmithKline as a brand-name for paracetamol. It has a role as an antioxidant, a plant metabolite, a histological dye and a food colouring. It is a diterpenoid, a diester and a disaccharide derivative. It is functionally related to a gentiobiose and a beta-D-gentiobiosyl crocetin.
Source: ChEBI
| Molecular formula | C44H64O24 |
|---|---|
| Molecular weight | 977.0 g/mol |
| IUPAC name | bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate |
| InChIKey | SEBIKDIMAPSUBY-RTJKDTQDSA-N |
| SMILES | C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C |
Computed by PubChem (NCBI)