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15-deoxyoxalicine a

  • Formula: C30H33NO5

  • Molecular weight: 487.60

  • Smiles: CC1=CCC2C(C13CC4=C(O3)C=C(OC4=O)C5=CN=CC=C5)(CCC(C26CCC(=O)OC6)C(=C)C)C

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15-deoxyoxalicine a

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

Names

  • Mycotoxin name: 15-deoxyoxalicine a

  • First synonym: 15-deoxyoxalicine a

  • Synonyms: 15-Deoxyoxalicine A,J3.516.333F

Identifiers / External links

Structure

  • Smiles: CC1=CCC2C(C13CC4=C(O3)C=C(OC4=O)C5=CN=CC=C5)(CCC(C26CCC(=O)OC6)C(=C)C)C

  • Isomeric smiles: CC1=CC[C@H]2[C@]([C@]13CC4=C(O3)C=C(OC4=O)C5=CN=CC=C5)(CC[C@H]([C@]26CCC(=O)OC6)C(=C)C)C

  • Inchi: InChI=1S/C30H33NO5/c1-18(2)22-9-11-28(4)25(29(22)12-10-26(32)34-17-29)8-7-19(3)30(28)15-21-24(36-30)14-23(35-27(21)33)20-6-5-13-31-16-20/h5-7,13-14,16,22,25H,1,8-12,15,17H2,2-4H3/t22-,25-,28+,29+,30-/m0/s1

  • Inchikey: CJORFNNKBJQFSW-URPBTUBFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H33NO5

  • Molecular weight: 487.60

  • Monoisotopic mass: 487.23587315

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