Cotylenin F

Base Information

• Chemical Name: Cotylenin F
• CAS No.: 58045-03-7
• Molecular Formula: C33H54O11
• Molecular Weight: 626.7753
• DSSTox Substance ID: DTXSID00474621
• Metabolomics Workbench ID: 143820
• Nikkaji Number: J14.633A
• Wikidata: Q27106235

Synonyms:Cotylenin F;58045-03-7;(2S,3R,4R,5S,6R)-2-[[(1E,3R,8R,9R,10R,11S,14R)-9,14-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-8-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]oxy]-5-[(2R)-1-hydroxy-2-[(2S)-oxiran-2-yl]propan-2-yl]oxy-6-(methoxymethyl)oxane-3,4-diol;C09078;CHEBI:3902;DTXSID00474621;Q27106235

Chemical Property of Cotylenin F

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 761.115°C at 760 mmHg
• Flash Point: 414.108°C
• Density: 1.28g/cm³
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 626.36661253
• Heavy Atom Count: 44
• Complexity: 1090

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CCC(C2=CC3(CCC(=C3C(C1O)OC4C(C(C(C(O4)COC)OC(C)(CO)C5CO5)O)O)C(C)C)C)(COC)O
• Isomeric SMILES: C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC)O[C@](C)(CO)[C@@H]5CO5)O)O)C(C)C)C)(COC)O

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