Crocin 3

cas: 55750-85-1 — see every product listed under this CAS number, including other names

Crocin 3 (CAS 55750-85-1) is a chemical reagent available from Chemat. Available pack sizes: 5MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog numberPHL86283-5MG
cas55750-85-1
size5MG
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Available pack sizes

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Sigma-Aldrich 5MG 1952.00 Pln
Structural formula: {0} (CAS {1})

Beta-D-gentiobiosyl crocetin is a dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of beta-D-gentiobiose. It is a glycoside, a dicarboxylic acid monoester and a disaccharide derivative. It is functionally related to a gentiobiose and a crocetin. It is a conjugate acid of a beta-D-gentiobiosyl crocetin(1-).

Source: ChEBI

Identity
Molecular formulaC32H44O14
Molecular weight652.7 g/mol
IUPAC name(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(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]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid
InChIKeyVULLCGFNYWDRHL-YJOFKXFJSA-N
SMILESC/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O

Computed by PubChem (NCBI)

Synonyms: beta-D-gentiobiosyl crocetin, Crocin III, Crocin 3, crocin-3, trans-Crocetin (beta-D-gentiobiosyl) ester, crocetin mono(beta-gentiobiosyl) ester, trans-crocetin beta-D-gentiobiosyl ester, all-trans-crocetin mono(beta-D-gentiobiosyl) ester, Crocetin glucosylglucoside, trans-crocin 2
Related forms of this compound
(2E,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(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]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid C32H44O14
Isomers (same molecular formula)
bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate C32H44O14
(2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate C32H44O14

Also listed as

Crocin III GLPBio CAS 55750-85-1
Crocin III/ 99.24% (existing batch purity) TargetMol CAS 55750-85-1
Beta-D-gentiobiosyl crocetin Biosynth CAS 55750-85-1
Crocin III (Standard) MedChemExpress CAS 55750-85-1
Crocin III, 98.75% MedChemExpress CAS 55750-85-1
Crocin III, 97% Ambeed CAS 55750-85-1
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-16-oxo-16-(((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)oxy)hexadeca-2,4,6,8,10,12,14-heptaenoic acid, 97% BLDpharm CAS 55750-85-1