beta-D-gentiobiosyl crocetin

Base Information

• Chemical Name: beta-D-gentiobiosyl crocetin
• CAS No.: 55750-85-1
• Molecular Formula: C₃₂H₄₄O₁₄
• Molecular Weight: 652.693
• ChEMBL ID: CHEMBL450567
• DSSTox Substance ID: DTXSID901318732
• Metabolomics Workbench ID: 62409
• Nikkaji Number: J40.300H,J582.709D
• Wikidata: Q27132163
• Mol file: 55750-85-1.mol

Synonyms:Crocin III;Crocin 3;beta-D-gentiobiosyl crocetin;55750-85-1;trans-Crocetin (beta-D-gentiobiosyl) ester;CHEMBL450567;CHEBI:62769;crocetin mono(beta-gentiobiosyl) ester;trans-crocetin beta-D-gentiobiosyl ester;(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;all-trans-crocetin mono(beta-D-gentiobiosyl) ester;crocin-3;1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose;SCHEMBL15726711;DTXSID901318732;HY-N6644;BDBM50260196;AKOS040763795;MS-30972;CS-0062877;C19869;E80775;Q27132163;(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

Chemical Property of beta-D-gentiobiosyl crocetin

Chemical Property:

• PSA: 232.90000
• LogP: -0.30790
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 14
• Exact Mass: 652.27310607
• Heavy Atom Count: 46
• Complexity: 1250

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)O
• Isomeric SMILES: C/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

Technology Process of beta-D-gentiobiosyl crocetin

There total 1 articles about beta-D-gentiobiosyl crocetin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

crocin-3 (55750-85-1) → 13Z-crocetin-8’-O-beta-D-gentiobioside (55750-85-1)

Guidance literature:

With 3-(1,4-dihydro-1,4-epidioxy-4-methyl-1-naphthyl)propionic acid; In water; at 35 ℃; Rate constant;

DOI:10.1016/S0040-4039(00)95585-0

Reference yield:

crocin-3 (55750-85-1) → 13Z-crocetin-8’-O-beta-D-gentiobioside (55750-85-1)

Guidance literature:

With 3-(1,4-dihydro-1,4-epidioxy-4-methyl-1-naphthyl)propionic acid; In water; at 35 ℃; Rate constant;

DOI:10.1016/S0040-4039(00)95585-0

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