Isorhamnetin 3,4'-diglucoside

Base Information

• Chemical Name: Isorhamnetin 3,4'-diglucoside
• CAS No.: 28288-98-4
• Molecular Formula: C28H32 O17
• Molecular Weight: 640.552
• ChEMBL ID: CHEMBL4640757
• DSSTox Substance ID: DTXSID201306384
• Metabolomics Workbench ID: 25427
• Nikkaji Number: J94.535H
• Wikidata: Q63395425
• Mol file: 28288-98-4.mol

Synonyms:Isorhamnetin 3,4'-diglucoside;MEGxp0_001950;CHEMBL4640757;Isorhamnetin, 3,4'-diglucoside;ACon1_001632;CHEBI:192427;DTXSID201306384;Isorhamnetin-3-Glucoside-4'-Glucoside;NCGC00180306-01;BRD-K58052696-001-01-4;Q63395425;5,7-dihydroxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Chemical Property of Isorhamnetin 3,4'-diglucoside

Chemical Property:

• Melting Point: 183-185 °C
• Boiling Point: 991.8±65.0 °C(Predicted)
• PKA: 6.16±0.40(Predicted)
• PSA: 278.66000
• Density: 1.79±0.1 g/cm3(Predicted)
• LogP: -2.76280
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 640.16394955
• Heavy Atom Count: 45
• Complexity: 1060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Technology Process of Isorhamnetin 3,4'-diglucoside

There total 1 articles about Isorhamnetin 3,4'-diglucoside 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:

quercetol (117-39-5,74893-81-5) → isoquercetin (482-35-9) + 4′-O-β-D-glucopyranosyl-quercetin-3-O-β-D-glucopyranoside (29125-80-2) + quercetin 3,7-O-β-D-diglucoside (30311-60-5,56782-99-1,116004-33-2,125591-69-7,6892-74-6) + 4'-O-β-D-glucopyranosyl-3-O-β-D-glucopyranoside 3'-methoxy-4',3,5,7,-tetrahydroxyflavone (28288-98-4)

Guidance literature:

at 30 ℃; for 336h; Yield given. Further byproducts given. Yields of byproduct given; cell suspension culture of Vitis hybrid;

upstream raw materials:

quercetol

Refernces