Lanceotoxin A

Base Information

• Chemical Name: Lanceotoxin A
• CAS No.: 93771-82-5
• Molecular Formula: C32H44O12
• Molecular Weight: 620.6846
• DSSTox Substance ID: DTXSID801118779
• Nikkaji Number: J2.767.254J
• Wikidata: Q27107175
• Metabolomics Workbench ID: 68977

Synonyms:Lanceotoxin A;93771-82-5;C08872;[(3S,5S,8R,9S,10S,13R,14S,17R)-5-acetyloxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoate;AC1L9BST;CHEBI:6371;DTXSID801118779;AKOS040746989;Q27107175;[(3S,5S,8R,9S,10S,13R,14S,17R)-5-acetoxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoate;Bufa-20,22-dienolide, 5-(acetyloxy)-3-[(6-deoxy-L-mannonoyl)oxy]-14-hydroxy-19-oxo-, (3beta,5beta)-

Chemical Property of Lanceotoxin A

Chemical Property:

• Vapor Pressure: 4.93E-30mmHg at 25°C
• Boiling Point: 805.6°Cat760mmHg
• Flash Point: 255.1°C
• PSA: 201.03000
• Density: 1.4g/cm³
• LogP: 1.12100
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 620.28327683
• Heavy Atom Count: 44
• Complexity: 1250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C(C(C(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)OC(=O)C)O)C5=COC(=O)C=C5)C)C=O)O)O)O)O
• Isomeric SMILES: C[C@@H]([C@@H]([C@H]([C@H](C(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@@]2(C1)OC(=O)C)O)C5=COC(=O)C=C5)C)C=O)O)O)O)O

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