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Talaroconvolutin d

  • Formula: C35H49NO5

  • Molecular weight: 563.80

  • Smiles: CCC(C)C=C(C)C1C(C2CCC(CC2(C=C1C)C)C)C(=O)C3C4C(NC3=O)(OC(O4)(C)C)CC5=CC=C(C=C5)O

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Talaroconvolutin d

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

  • Mycotoxin name: Talaroconvolutin d

  • First synonym: Talaroconvolutin d

  • Synonyms: Talaroconvolutin D,CHEMBL509661

Identifiers / External links

Structure

  • Smiles: CCC(C)C=C(C)C1C(C2CCC(CC2(C=C1C)C)C)C(=O)C3C4C(NC3=O)(OC(O4)(C)C)CC5=CC=C(C=C5)O

  • Isomeric smiles: CCC(C)/C=C(\C)/[C@@H]1[C@@H]([C@H]2CC[C@@H](C[C@@]2(C=C1C)C)C)C(=O)C3C4C(NC3=O)(OC(O4)(C)C)CC5=CC=C(C=C5)O

  • Inchi: InChI=1S/C35H49NO5/c1-9-20(2)16-22(4)27-23(5)18-34(8)17-21(3)10-15-26(34)28(27)30(38)29-31-35(36-32(29)39,41-33(6,7)40-31)19-24-11-13-25(37)14-12-24/h11-14,16,18,20-21,26-29,31,37H,9-10,15,17,19H2,1-8H3,(H,36,39)/b22-16+/t20?,21-,26+,27-,28+,29?,31?,34+,35?/m0/s1

  • Inchikey: QHDBOFOXZOOICM-ZSXAJSSESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C35H49NO5

  • Molecular weight: 563.80

  • Monoisotopic mass: 563.36107366

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