Archangelicine

Base Information

• Chemical Name: Archangelicine
• CAS No.: 2607-56-9
• Molecular Formula: C24H26 O7
• Molecular Weight: 426.466
• UNII: 903ARG2Y81
• ChEMBL ID: CHEMBL1426896
• DSSTox Substance ID: DTXSID801100736
• Nikkaji Number: J14.364B
• Wikidata: Q27271273
• Mol file: 2607-56-9.mol

Synonyms:archangelicin

Chemical Property of Archangelicine

Chemical Property:

• Vapor Pressure: 2.58E-11mmHg at 25°C
• Boiling Point: 529.9°Cat760mmHg
• Flash Point: 227.9°C
• PSA: 92.04000
• Density: 1.24g/cm³
• LogP: 4.39250
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 426.16785316
• Heavy Atom Count: 31
• Complexity: 835

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C(=CC)C
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@H](OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)/C(=C\C)/C