Clinoposaponin X

Base Information

• Chemical Name: Clinoposaponin X
• CAS No.: 159122-00-6
• Molecular Formula: C42H68 O14
• Molecular Weight: 796.98
• DSSTox Substance ID: DTXSID00936057
• Wikidata: Q82912195
• Mol file: 159122-00-6.mol

Synonyms:13,28-epoxy-16(beta),23-dihydroxyolean-11-en-3-yl-beta-glucopyranosyl-1-6-glucopyranoside;clinoposaponin X

Chemical Property of Clinoposaponin X

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 914°Cat760mmHg
• Flash Point: 506.6°C
• PSA: 228.22000
• Density: 1.39g/cm³
• LogP: 0.74930
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 796.46090684
• Heavy Atom Count: 56
• Complexity: 1510

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC23COC4(C2C1)C=CC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)CO)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)C
• Isomeric SMILES: C[C@]12CCC(C(C1CC[C@@]3(C2C=CC45[C@]3(C[C@H](C6([C@@H]4CC(CC6)(C)C)CO5)O)C)C)(C)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O