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1-deoxytetrahydrobostrycin

  • Formula: C16H20O7

  • Molecular weight: 324.32

  • Smiles: CC1(CC2C(CC1O)C(=O)C3=C(C2O)C(=C(C=C3O)OC)O)O

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1-deoxytetrahydrobostrycin

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

  • Mycotoxin name: 1-deoxytetrahydrobostrycin

  • First synonym: 9alpha-hydroxydihydrodesoxybostrycin

  • Synonyms: 9Alpha-Hydroxydihydrodesoxybostrycin,1-Deoxytetrahydrobostrycin,SCHEMBL2791513,CHEMBL1224805

Identifiers / External links

Structure

  • Smiles: CC1(CC2C(CC1O)C(=O)C3=C(C2O)C(=C(C=C3O)OC)O)O

  • Isomeric smiles: C[C@@]1(C[C@H]2[C@H](C[C@H]1O)C(=O)C3=C([C@@H]2O)C(=C(C=C3O)OC)O)O

  • Inchi: InChI=1S/C16H20O7/c1-16(22)5-7-6(3-10(16)18)13(19)11-8(17)4-9(23-2)15(21)12(11)14(7)20/h4,6-7,10,14,17-18,20-22H,3,5H2,1-2H3/t6-,7-,10+,14+,16-/m0/s1

  • Inchikey: LNMXRONIHUOFQM-HVRKRCABSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H20O7

  • Molecular weight: 324.32

  • Monoisotopic mass: 324.12090297

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