Cimiside A

Base Information

• Chemical Name: Cimiside A
• CAS No.: 152685-90-0
• Molecular Formula: C35H56 O10
• Molecular Weight: 636.81
• Wikidata: Q105130396
• Metabolomics Workbench ID: 131309
• ChEMBL ID: CHEMBL3337552
• Mol file: 152685-90-0.mol

Synonyms:12-hydroxycimigenol-3-O-xylopyranoside;cimiside A

Chemical Property of Cimiside A

Chemical Property:

• Vapor Pressure: 1.78E-27mmHg at 25°C
• Boiling Point: 771.4°Cat760mmHg
• Flash Point: 420.3°C
• Density: 1.36g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 636.38734798
• Heavy Atom Count: 45
• Complexity: 1240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C(OC3(C1C4(C(CC56CC57CCC(C(C7CCC6C4(C3O)C)(C)C)OC8C(C(C(CO8)O)O)O)O)C)O2)C(C)(C)O
• Isomeric SMILES: C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4([C@@H](C[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)C)O2)C(C)(C)O