13,21-Dihydroeurycomanone

Base Information

• Chemical Name: 13,21-Dihydroeurycomanone
• CAS No.: 129587-06-0
• Molecular Formula: C20H26 O9
• Molecular Weight: 410.41500
• ChEMBL ID: CHEMBL3120500
• DSSTox Substance ID: DTXSID401312646
• Metabolomics Workbench ID: 121668
• Nikkaji Number: J407.111E
• Wikidata: Q105210435

Synonyms:13,21-dihydroeurycomanone;129587-06-0;Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12,14,15-pentahydroxy-, (1beta,11beta,12alpha,15beta)-;(1R,4R,5R,6S,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-Pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione;CHEMBL3120500;DTXSID401312646;HY-N9320;AKOS040763829;MS-27068;PD158172;CS-0159384;E88901

Chemical Property of 13,21-Dihydroeurycomanone

Chemical Property:

• PSA: 153.75000
• LogP: -1.74810
• XLogP3: -2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 410.15768240
• Heavy Atom Count: 29
• Complexity: 855

Purity/Quality:

≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C2(C3C4(C(CC5C3(C1(C(C(=O)O5)O)O)CO2)C(=CC(=O)C4O)C)C)O)O
• Isomeric SMILES: C[C@H]1[C@H]([C@]2([C@@H]3[C@@]4([C@@H](C[C@@H]5[C@]3([C@]1([C@H](C(=O)O5)O)O)CO2)C(=CC(=O)[C@H]4O)C)C)O)O

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