9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid

Base Information

• Chemical Name: 9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid
• CAS No.: 23452-98-4
• Molecular Formula: C22H38O5
• Molecular Weight: 382.5
• DSSTox Substance ID: DTXSID701347931
• Wikidata: Q76293759
• Metabolomics Workbench ID: 2462
• Mol file: 23452-98-4.mol

Synonyms:1a,1b-dihomo-PGE1;9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid;23452-98-4;9-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]nonanoic acid;1a,1b-dihomo-Prostaglandin E1;LMFA03010108;1a,1b-Dihomoprostaglandin E1;.alpha.-Dihomoprostaglandin E1;CHEBI:184175;YMDDELUTDBQEMT-QZCLESEGSA-N;DTXSID701347931;HMS3648A20;AKOS040755129;PD021260;SR-01000946346;SR-01000946346-1;9-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-5-oxocyclopentyl}nonanoic acid;Cyclopentanenonanoic acid, 3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-, [1R-[1.alpha.,2.beta.(1E,3S),3.alpha.]]-

Chemical Property of 9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 15
• Exact Mass: 382.27192431
• Heavy Atom Count: 27
• Complexity: 460

Purity/Quality:

99% ^*data from raw suppliers

1a,1b-dihomo Prostaglandin E1 ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(C=CC1C(CC(=O)C1CCCCCCCCC(=O)O)O)O
• Isomeric SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCCCC(=O)O)O)O

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