Erysimoside

Base Information

• Chemical Name: Erysimoside
• CAS No.: 7082-34-0
• Molecular Formula: C35H52O14
• Molecular Weight: 696.779
• European Community (EC) Number: 230-381-0
• UNII: O8CV79Z4ZL
• DSSTox Substance ID: DTXSID801318260
• Metabolomics Workbench ID: 62822
• Nikkaji Number: J53.950C
• Wikidata: Q27132663
• Mol file: 7082-34-0.mol

Synonyms:erysimoside

Chemical Property of Erysimoside

Chemical Property:

• Boiling Point: 918.8°Cat760mmHg
• Flash Point: 286.6°C
• PSA: 221.90000
• Density: 1.46g/cm³
• LogP: -0.39660
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 696.33570633
• Heavy Atom Count: 49
• Complexity: 1310

Purity/Quality:

99% ^*data from raw suppliers

ERYSIMOSIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC7C(C(C(C(O7)CO)O)O)O
• Isomeric SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O