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Dehydroxychlorofusarielin b

  • Formula: C25H39ClO4

  • Molecular weight: 439.00

  • Smiles: CC=C(C)C1C(C2CC(C(CC2C3C1(O3)C)(C)O)Cl)C=CC=C(C)C(C(C)CO)O

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Dehydroxychlorofusarielin b

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

Names

  • Mycotoxin name: Dehydroxychlorofusarielin b

  • First synonym: Dehydroxychlorofusarielin b

  • Synonyms: dehydroxychlorofusarielin B,Dehydroxycylorofusarielin B,CHEMBL426203,CHEBI:188767,(2S,3S,4E,6E)-7-[(1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-5-chloro-6-hydroxy-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-yl]-2,4-dimethylhepta-4,6-diene-1,3-diol

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Structure

  • Smiles: CC=C(C)C1C(C2CC(C(CC2C3C1(O3)C)(C)O)Cl)C=CC=C(C)C(C(C)CO)O

  • Isomeric smiles: C/C=C(\C)/[C@H]1[C@H]([C@@H]2C[C@H]([C@](C[C@H]2[C@H]3[C@@]1(O3)C)(C)O)Cl)/C=C/C=C(\C)/[C@H]([C@@H](C)CO)O

  • Inchi: InChI=1S/C25H39ClO4/c1-7-14(2)21-17(10-8-9-15(3)22(28)16(4)13-27)18-11-20(26)24(5,29)12-19(18)23-25(21,6)30-23/h7-10,16-23,27-29H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16-,17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1

  • Inchikey: NUVPMECBNLBBBB-RGIDNKBKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H39ClO4

  • Molecular weight: 439.00

  • Monoisotopic mass: 438.2536874

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