Macrophyllosaponin B

Base Information

• Chemical Name: Macrophyllosaponin B
• CAS No.: 184104-60-7
• Molecular Formula: C41H70O13
• Molecular Weight: 770.9867
• NSC Number: 726105
• DSSTox Substance ID: DTXSID20417732
• Wikidata: Q82227867
• Mol file: 184104-60-7.mol

Synonyms:macrophyllosaponin B

Chemical Property of Macrophyllosaponin B

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 880.2°Cat760mmHg
• Flash Point: 486.1°C
• Density: 1.33g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 770.48164228
• Heavy Atom Count: 54
• Complexity: 1380

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CC(C34CC35CCC6(C(CCC6(C5C(CC4C2(C)C)O)C)C(C)CCC(C(C)(C)O)OC7C(C(C(CO7)O)O)O)C)O)O)O)O
• Isomeric SMILES: CC1C(C(C(C(O1)O[C@H]2C[C@@H]([C@]34C[C@]35CC[C@@]6(C(CC[C@]6(C5[C@H](CC4C2(C)C)O)C)[C@H](C)CC[C@@H](C(C)(C)O)OC7C(C(C(CO7)O)O)O)C)O)O)O)O