Decoside

Base Information

• Chemical Name: Decoside
• CAS No.: 111508-63-5
• Molecular Formula: C30H42 O9
• Molecular Weight: 546.6491
• DSSTox Substance ID: DTXSID60331645
• Nikkaji Number: J2.767.229I
• Wikidata: Q27106345
• Mol file: 111508-63-5.mol

Synonyms:Decoside;111508-63-5;3-[(3S,5R,8R,10S,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;C08860;Decogenin 3-O-alpha-L-oleandroside;CHEBI:4351;DTXSID60331645;Q27106345

Chemical Property of Decoside

Chemical Property:

• Vapor Pressure: 5.16E-26mmHg at 25°C
• Boiling Point: 750.7°C at 760 mmHg
• Flash Point: 244°C
• PSA: 131.75000
• Density: 1.33g/cm³
• LogP: 3.12420
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 546.28288291
• Heavy Atom Count: 39
• Complexity: 1110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3=C(C(=O)C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4C3=C(C(=O)[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)OC)O

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