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Spirotryprostatin c

  • Formula: C27H33N3O6

  • Molecular weight: 495.60

  • Smiles: CC(=CCN1C2=C(C=CC(=C2)OC)C3(C1=O)C(N4C(=O)C5CCCN5C(=O)C4(C3O)O)C=C(C)C)C

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Spirotryprostatin c

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

  • Mycotoxin name: Spirotryprostatin c

  • First synonym: Spirotryprostatin c

  • Synonyms: Spirotryprostatin C

Identifiers / External links

Structure

  • Smiles: CC(=CCN1C2=C(C=CC(=C2)OC)C3(C1=O)C(N4C(=O)C5CCCN5C(=O)C4(C3O)O)C=C(C)C)C

  • Isomeric smiles: CC(=CCN1C2=C(C=CC(=C2)OC)[C@]3(C1=O)[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C=C(C)C)C

  • Inchi: InChI=1S/C27H33N3O6/c1-15(2)10-12-29-20-14-17(36-5)8-9-18(20)26(24(29)33)21(13-16(3)4)30-22(31)19-7-6-11-28(19)25(34)27(30,35)23(26)32/h8-10,13-14,19,21,23,32,35H,6-7,11-12H2,1-5H3/t19-,21-,23-,26-,27+/m0/s1

  • Inchikey: YPSDDVCGIHETLQ-AMOYZJMOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H33N3O6

  • Molecular weight: 495.60

  • Monoisotopic mass: 495.23693578

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