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%

cas: 42553-65-1 — see every product listed under this CAS number, including other names

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% (CAS 42553-65-1) is a chemical reagent available from Chemat. Available pack sizes: 5g, 25g, 1g. Offered by: Combi-blocks.

brandCombi-blocks
catalog numberQV-7493-5g
cas42553-65-1
size5g
Documents: Safety Data Sheet (MSDS)
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properties

purity95%
delivery time1-2 weeks (only if in stock, to check click on availability)
Structural formula: {0} (CAS {1})

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

Identity
Molecular formulaC44H64O24
Molecular weight977.0 g/mol
IUPAC namebis[(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
InChIKeySEBIKDIMAPSUBY-RTJKDTQDSA-N
SMILESC/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)

Synonyms: Crocin, Crocine, Crocin 1, alpha-Crocin, Crocin A, Crocetin bis(gentiobiosyl) ester, trans-Crocetin di(beta-D-gentiobiosyl) ester, crocetin di-gentiobiose ester, all-trans-Crocetin di-beta-D-gentiobiosyl ester, Crocin I
Related forms of this compound
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,6Z,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate C44H64O24
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 C44H64O24
Isomers (same molecular formula)
methyl (5Z)-4-[2-[[(1S,2S,3S,5R)-5-(1,3-dihydroxypropan-2-yl)-3-[2-[(3Z)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate C44H64O24

Also listed as

Crocin I, min. 95 %, 1 g Roth CAS 42553-65-1
Crocin, >95% (HPLC) TRC CAS 42553-65-1
Crocin GLPBio CAS 42553-65-1
Crocin/ 98.94% (existing batch purity) TargetMol CAS 42553-65-1
Crocin (Gardenia Fruits Extract) TCI CAS 42553-65-1
Crocin - microscopy grade Biosynth CAS 42553-65-1
Crocin I Biosynth CAS 42553-65-1
Crocin, 99.68% MedChemExpress CAS 42553-65-1
Crocin (Standard), 98.36% MedChemExpress CAS 42553-65-1
Crocin I, min. 95 %, 100 mg Roth CAS 42553-65-1
Crocin I, min. 95 %, 250 mg Roth CAS 42553-65-1
Crocin I, min. 95 %, 500 mg Roth CAS 42553-65-1
Crocin, 95% Ambeed CAS 42553-65-1
(2E,4E,6E,8E,10E,12E,14E)-Bis((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl) 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate, 95% BLDpharm CAS 42553-65-1