Hypopistephanine

Base Information

• Chemical Name: Hypopistephanine
• CAS No.: 33116-41-5
• Molecular Formula: C36H36 N2 O6
• Molecular Weight: 592.6808
• NSC Number: 135070
• DSSTox Substance ID: DTXSID201099042
• Nikkaji Number: J2.399.202G
• Wikidata: Q104996600
• Metabolomics Workbench ID: 125855
• ChEMBL ID: CHEMBL1967074

Synonyms:Hypopistephanine;NSC135070;33116-41-5;O12-Demethylepistephanine;CHEMBL1967074;DTXSID201099042;NSC-135070;NCI60_000790;2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol, 3,4,4a,5,18,19-hexahydro-21,22,26-trimethoxy-4-methyl-, (4aR)-

Chemical Property of Hypopistephanine

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 592.25733687
• Heavy Atom Count: 44
• Complexity: 988

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)OC5=CC=C(CC6=NCCC7=CC(=C(C(=C76)O3)OC)OC)C=C5)OC
• Isomeric SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC(=C(C=C4)O)OC5=CC=C(CC6=NCCC7=CC(=C(C(=C76)O3)OC)OC)C=C5)OC

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