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13-dehydroxycyclotryprostatin C

  • Formula: C21H23N3O3

  • Molecular weight: 365.40

  • Smiles: CC(=CC1C2=C(CC3(N1C(=O)C4CCCN4C3=O)O)C5=CC=CC=C5N2)C

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13-dehydroxycyclotryprostatin C

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

  • Mycotoxin name: 13-dehydroxycyclotryprostatin C

  • First synonym: None

  • Synonyms: 13-dehydroxycyclotryprostatin C

Identifiers / External links

Structure

  • Smiles: CC(=CC1C2=C(CC3(N1C(=O)C4CCCN4C3=O)O)C5=CC=CC=C5N2)C

  • Isomeric smiles: CC(=C[C@H]1C2=C(C[C@@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)C5=CC=CC=C5N2)C

  • Inchi: InChI=1S/C21H23N3O3/c1-12(2)10-17-18-14(13-6-3-4-7-15(13)22-18)11-21(27)20(26)23-9-5-8-16(23)19(25)24(17)21/h3-4,6-7,10,16-17,22,27H,5,8-9,11H2,1-2H3/t16-,17-,21+/m0/s1

  • Inchikey: YFEPEUHYAAENPV-XGHQBKJUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H23N3O3

  • Molecular weight: 365.40

  • Monoisotopic mass: 365.1739416

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