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cis-9,10-Epoxystearic acid

  • Formula: C18H34O3

  • Molecular weight: 298.50

  • Smiles: CCCCCCCCC1C(O1)CCCCCCCC(=O)O

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cis-9,10-Epoxystearic acid

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: cis-9,10-Epoxystearic acid

  • First synonym: None

  • Synonyms: 9,10-EPOXYSTEARIC ACID,9,10-Epoxyoctadecanoic acid,cis-9,10-Epoxystearic acid,2443-39-2,8-(3-octyloxiran-2-yl)octanoic acid,Oxiraneoctanoic acid, 3-octyl-,CHEMBL27918,rac trans-9,10-Epoxystearic Acid,24560-98-3,cis-9,10-Epoxyoctadecanoic acid,Oleic acid epoxide,13980-07-9,3-Octyloxiran-2-octanoic acid,Octadecanoic acid, 9,10-epoxy-,EINECS 219-477-3,NSC 179691,CHEBI:82464,AI3-14196,EPOXY-OLEIC ACID,(2R,3R)-rel-3-Octyl-2-oxiraneoctanoic Acid,Octadecanoic acid,10-epoxy-,UNII-00640UF4ZM,BML1-E12,SCHEMBL1326660,WLN: T3OTJ B8 C7VQ,CHEBI:85661,cis-3-Octyl-oxiraneoctanoic acid,DTXSID90866879,00640UF4ZM,8-(3-Octyl-oxiranyl)-octanoic acid,BDBM50280214,LMFA02000326,NSC179691,AKOS024319383,NSC-179691,theta, iot+C186a - Epoxystearic acid,NCGC00161281-01,NS00076875,C19418,J-015525,trans-9,10-Epoxystearic acid, ~99% (capillary GC)

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Structure

  • Smiles: CCCCCCCCC1C(O1)CCCCCCCC(=O)O

  • Isomeric smiles: CCCCCCCCC1C(O1)CCCCCCCC(=O)O

  • Inchi: InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)

  • Inchikey: IMYZYCNQZDBZBQ-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H34O3

  • Molecular weight: 298.50

  • Monoisotopic mass: 298.25079494

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