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pf1163b

  • Formula: C27H43NO5

  • Molecular weight: 461.60

  • Smiles: CCCCCC1CCC(CCCCC(=O)N(C(C(=O)O1)CC2=CC=C(C=C2)OCCO)C)C

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pf1163b

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
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Names

  • Mycotoxin name: pf1163b

  • First synonym: None

  • Synonyms: PF-1163B,258871-60-2,Pf 1163b,(3S,10R,13R)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]-4,10-dimethyl-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione,PF1163B,(-)-PF 1163B,(3S,10R,13R)-3-[4-(2-hydroxyethoxy)benzyl]-4,10-dimethyl-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione,3S-[[4-(2-hydroxyethoxy)phenyl]methyl]-4,10R-dimethyl-13R-pentyl-1-oxa-4-azacyclotridecane-2,5-dione,CHEMBL4513381,CHEBI:66741,DA-66631,HY-123474,CS-0082713,Q27135364,(3S,9R)-2-Aza-3-{[4-(2-hydroxyethoxy)phenyl]methyl}-2,9-dimethyl-5-oxa-6-pentylcyclotridecane-1,4-dione

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Structure

  • Smiles: CCCCCC1CCC(CCCCC(=O)N(C(C(=O)O1)CC2=CC=C(C=C2)OCCO)C)C

  • Isomeric smiles: CCCCC[C@@H]1CC[C@@H](CCCCC(=O)N([C@H](C(=O)O1)CC2=CC=C(C=C2)OCCO)C)C

  • Inchi: InChI=1S/C27H43NO5/c1-4-5-6-10-24-15-12-21(2)9-7-8-11-26(30)28(3)25(27(31)33-24)20-22-13-16-23(17-14-22)32-19-18-29/h13-14,16-17,21,24-25,29H,4-12,15,18-20H2,1-3H3/t21-,24-,25+/m1/s1

  • Inchikey: PCRJJAXIHTZHNU-SDUSCBPUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H43NO5

  • Molecular weight: 461.60

  • Monoisotopic mass: 461.31412347

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