Neoeriocitrin

Base Information

• Chemical Name: Neoeriocitrin
• CAS No.: 13241-32-2
• Deprecated CAS: 39280-04-1,36790-48-4
• Molecular Formula: C27H32 O15
• Molecular Weight: 596.542
• Hs Code.: 29389090
• European Community (EC) Number: 236-215-3
• DSSTox Substance ID: DTXSID70157530
• Nikkaji Number: J213.772K
• Wikipedia: Neoeriocitrin
• Wikidata: Q13564785
• Metabolomics Workbench ID: 68103
• ChEMBL ID: CHEMBL3609603
• Mol file: 13241-32-2.mol

Synonyms:neoeriocitrin

Chemical Property of Neoeriocitrin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 277°C
• Refractive Index: 1.727
• Boiling Point: 960.7°C at 760 mmHg
• PKA: 7.14±0.40(Predicted)
• Flash Point: 318.3°C
• PSA: 245.29000
• Density: 1.73±0.1 g/cm3 (20 ºC 760 Torr)
• LogP: -1.45960
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 596.17412031
• Heavy Atom Count: 42
• Complexity: 924

Purity/Quality:

98% ^*data from raw suppliers

Neoeriocitrin 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O

Technology Process of Neoeriocitrin

There total 1 articles about Neoeriocitrin 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:

→ eriodictyol 7-O-neohesperidoside (13241-32-2)

Guidance literature:

(2), Protocatechualdehyd;