Trestatin C

Base Information

• Chemical Name: Trestatin C
• CAS No.: 71892-68-7
• Molecular Formula: C75H125N3O52
• Molecular Weight: 1900.7839
• Wikidata: Q105189239
• Metabolomics Workbench ID: 98341
• Mol file: 71892-68-7.mol

Synonyms:trestatin;trestatin A;trestatin B;trestatin C

Chemical Property of Trestatin C

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.82g/cm³
• XLogP3: -24.2
• Hydrogen Bond Donor Count: 38
• Hydrogen Bond Acceptor Count: 55
• Rotatable Bond Count: 31
• Exact Mass: 1899.7229112
• Heavy Atom Count: 130
• Complexity: 3620

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(C(C=C3CO)NC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(C(C(C=C6CO)NC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(C(C1O)O)OC1C(C(C(C(O1)CO)O)O)O)CO)CO)CO)C)O)O)CO)C)O)O)CO)O)O)NC1C=C(C(C(C1O)O)O)CO
• Isomeric SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO)CO)CO)O)O)N[C@H]6C=C([C@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C)NC9C=C([C@H]([C@@H]([C@H]9O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)NC1C=C([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)O)CO)O)O)O)O)CO