Ajugamarin C1

Base Information

• Chemical Name: Ajugamarin C1
• CAS No.: 121449-64-7
• Molecular Formula: C₂₄H₃₄O₉
• Molecular Weight: 466.529
• Nikkaji Number: J2.134.576H
• Wikidata: Q105204413
• Mol file: 121449-64-7.mol

Synonyms:Ajugamarin C1

Chemical Property of Ajugamarin C1

Chemical Property:

• Boiling Point: 631°Cat760mmHg
• Flash Point: 211.1°C
• Density: 1.31g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 466.22028266
• Heavy Atom Count: 33
• Complexity: 868

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C2(C(C1(C)CC(C3=CC(=O)OC3)O)C(CCC24CO4)O)COC(=O)C)OC(=O)C
• Isomeric SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)C[C@@H](C3=CC(=O)OC3)O)[C@@H](CC[C@]24CO4)O)COC(=O)C)OC(=O)C