Isostrychnobiline, 12'-hydroxy-

Base Information

• Chemical Name: Isostrychnobiline, 12'-hydroxy-
• CAS No.: 71610-50-9
• Molecular Formula: C40H46N4O3
• Molecular Weight: 630.8182
• NSC Number: 325311

Synonyms:ISOSTRYCHNOBILINE, 12'-HYDROXY-;12'-Hydroxyisostrychnobiline;NSC325311;NSC-325311;1, 1'-acetyl-19,19',20,20'-tetradehydro-17,17'-epoxy-12'-hydroxy-, (16.alpha.,19E)-(17'S,19'E)-

Chemical Property of Isostrychnobiline, 12'-hydroxy-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 59.49000
• Density: 1.39g/cm³
• LogP: 5.19440
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 630.35699134
• Heavy Atom Count: 47
• Complexity: 1430

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1CN2CCC34C2CC1C5C3N(C(OC5)C6C7CC8C9(C6N(C1=C9C=CC=C1O)C(=O)C)CCN8CC7=CC)C1=CC=CC=C41
• Isomeric SMILES: C/C=C/1\CN2CCC34C2CC1C5C3N(C(OC5)C6C\7CC8C9(C6N(C1=C9C=CC=C1O)C(=O)C)CCN8C/C7=C\C)C1=CC=CC=C41

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