Isoharringtonine

Base Information

• Chemical Name: Isoharringtonine
• CAS No.: 26833-86-3
• Molecular Formula: C28H37 N O9
• Molecular Weight: 531.66
• NSC Number: 141634
• DSSTox Substance ID: DTXSID401316729
• Nikkaji Number: J139.910A
• Wikidata: Q76005896
• ChEMBL ID: CHEMBL1969433
• Mol file: 26833-86-3.mol

Synonyms:isoharringtonine

Chemical Property of Isoharringtonine

Chemical Property:

• Vapor Pressure: 7.21E-17mmHg at 25°C
• Melting Point: 70.75°C
• Refractive Index: 1.6290 (estimate)
• Boiling Point: 632.5°Cat760mmHg
• PKA: 11.62±0.29(Predicted)
• Flash Point: 336.3°C
• PSA: 123.99000
• Density: 1.35g/cm³
• LogP: 1.98440
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 531.24683176
• Heavy Atom Count: 38
• Complexity: 939

Purity/Quality:

99% ^*data from raw suppliers

ISOHARRINGTONINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCC(C(C(=O)OC)O)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O
• Isomeric SMILES: CC(C)CC[C@@]([C@@H](C(=O)OC)O)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O
• Description: A minor alkaloid obtained from various species of Cephalotaxus, this base has the structure given above. It is separated from the accompanying alkaloids by chromatography and countercurrent distribution methods.