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Eremofortin B

  • Formula: C15H20O3

  • Molecular weight: 248.32

  • Smiles: CC1C(C2C(O2)C3=CC(=O)C(CC13C)C(=C)C)O

  • Type: Eremofortins

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Eremofortin B

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

  • Mycotoxin name: Eremofortin B

  • First synonym: None

  • Synonyms: 60048-73-9,D372Y6VN6H,Eremofortin B,(1aR)-1abeta,3,3a,4,5,7bbeta-Hexahydro-2alpha-hydroxy-5beta-isopropenyl-3alpha,3aalpha-dimethylnaphth[1,2-b]oxiren-6(2H)-one,(1aR,2R,3R,3aR,5S,7bS)-2-hydroxy-3,3a-dimethyl-5-prop-1-en-2-yl-1a,2,3,4,5,7b-hexahydronaphtho[1,2-b]oxiren-6-one,Naphth(1,2-b)oxiren-6(2H)-one, 1a,3,3a,4,5,7b-hexahydro-2-hydroxy-3,3a-dimethyl-5-(1-methylethenyl)-, (1aR,2R,3R,3aR,5S,7bS)-,Naphth[1,2-b]oxiren-6(2H)-one, 1a,3,3a,4,5,7b-hexahydro-2-hydroxy-3,3a-dimethyl-5-(1-methylethenyl)-, (1aR,2R,3R,3aR,5S,7bS)-,UNII-D372Y6VN6H,CHEMBL4167884,Naphth(1,2-b)oxiren-6(2H)-one, 1a,3,3a,4,7,7b-hexahydro-2-hydroxy-3,3a-dimethyl-5-(1-methylethenyl)-,HY-126484,CS-0104864

Identifiers / External links

Structure

  • Smiles: CC1C(C2C(O2)C3=CC(=O)C(CC13C)C(=C)C)O

  • Isomeric smiles: C[C@H]1[C@H]([C@@H]2[C@@H](O2)C3=CC(=O)[C@@H](C[C@]13C)C(=C)C)O

  • Inchi: InChI=1S/C15H20O3/c1-7(2)9-6-15(4)8(3)12(17)14-13(18-14)10(15)5-11(9)16/h5,8-9,12-14,17H,1,6H2,2-4H3/t8-,9-,12+,13-,14+,15+/m0/s1

  • Inchikey: OXZGFGFICRZIFY-DURCKFPESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H20O3

  • Molecular weight: 248.32

  • Monoisotopic mass: 248.1412445

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