Plantarenaloside

Base Information

• Chemical Name: Plantarenaloside
• CAS No.: 72396-01-1
• Deprecated CAS: 73036-45-0
• Molecular Formula: C16H24O9
• Molecular Weight: 360.3564
• UNII: 4N6D873D7C
• DSSTox Substance ID: DTXSID00993185
• Nikkaji Number: J1.458.584B
• Wikidata: Q27260207
• Metabolomics Workbench ID: 132865
• ChEMBL ID: CHEMBL3622814
• Mol file: 72396-01-1.mol

Synonyms:plantarenaloside

Chemical Property of Plantarenaloside

Chemical Property:

• Vapor Pressure: 3.43E-17mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 605.6 °C at 760 mmHg
• Flash Point: 221.1 °C
• PSA: 145.91000
• Density: 1.52 g/cm³
• LogP: -1.98080
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 360.14203234
• Heavy Atom Count: 25
• Complexity: 538

Purity/Quality:

99%, ^*data from raw suppliers

Plantarenaloside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O
• Isomeric SMILES: C[C@@H]1CC[C@]2([C@@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

Refernces