ascaroside C9

Base Information

• Chemical Name: ascaroside C9
• CAS No.: 946524-26-1
• Molecular Formula: C₁₅H₂₆O₆
• Molecular Weight: 302.368
• ChEMBL ID: CHEMBL1221889
• DSSTox Substance ID: DTXSID501317699
• Metabolomics Workbench ID: 120239
• Nikkaji Number: J3.168.934A,J2.612.194I
• Wikidata: Q27147975

Synonyms:ascr#3;ascaroside C9;946524-26-1;CHEBI:78821;(-)-8R-(Tetrahydro-3'R,5'R-dihydroxy-6'S-methyl-2H-pyran-2'R-yloxy)-2E-nonenoic acid;(E,8R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxynon-2-enoic acid;2-Nonenoic acid, 8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-, (2E,8R)-;(R,E)-8-(((2R,3R,5R,6S)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)non-2-enoic acid;daumone-3;ASCR NO 3;MLS002279963;CHEMBL1221889;SCHEMBL13935042;DTXSID501317699;HMS2206B12;HY-N6977;AKOS040740707;MS-24360;SMR001318100;CS-0101358;G14354;Q27147975;(-)-8R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-nonenoic acid;(2E,8R)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]non-2-enoic acid

Chemical Property of ascaroside C9

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 302.17293854
• Heavy Atom Count: 21
• Complexity: 343

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1C(CC(C(O1)OC(C)CCCCC=CC(=O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCC/C=C/C(=O)O)O)O

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