CID 53486204

Base Information

• Chemical Name: CID 53486204
• CAS No.: 136085-37-5
• Molecular Formula: C20H28 O8
• Molecular Weight: 396.433
• Hs Code.: 29389090
• DSSTox Substance ID: DTXSID20704871
• Nikkaji Number: J413.365J
• Wikidata: Q72487671
• Mol file: 136085-37-5.mol

Synonyms:isolobetyol;lobetyolin

Chemical Property of CID 53486204

Chemical Property:

• PSA: 139.84000
• LogP: -1.55600
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 396.17841785
• Heavy Atom Count: 28
• Complexity: 646

Purity/Quality:

98% ^*data from raw suppliers

Lobetyolin ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC#CC#CC(C(C=CCCCO)OC1C(C(C(C(O1)CO)O)O)O)O
• Isomeric SMILES: C/C=C/C#CC#CC(C(/C=C/CCCO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
• Uses: Lobetyolin is a natural phenolic glycoside found in herbal remedies used in Chinese and Korean medicine. Potential treatment for diabetic complications.