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Spirotryprostatin d

  • Formula: C27H33N3O7

  • Molecular weight: 511.60

  • Smiles: CC(=CCN1C2=C(C=CC(=C2)OC)C3(C1=O)C(N4C(=O)C5(CCCN5C(=O)C4(C3O)O)O)C=C(C)C)C

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Spirotryprostatin d

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

  • Mycotoxin name: Spirotryprostatin d

  • First synonym: Spirotryprostatin d

  • Synonyms: Spirotryprostatin D

Identifiers / External links

Structure

  • Smiles: CC(=CCN1C2=C(C=CC(=C2)OC)C3(C1=O)C(N4C(=O)C5(CCCN5C(=O)C4(C3O)O)O)C=C(C)C)C

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

  • Inchi: InChI=1S/C27H33N3O7/c1-15(2)9-12-28-19-14-17(37-5)7-8-18(19)26(23(28)33)20(13-16(3)4)30-22(32)25(35)10-6-11-29(25)24(34)27(30,36)21(26)31/h7-9,13-14,20-21,31,35-36H,6,10-12H2,1-5H3/t20-,21-,25+,26-,27+/m0/s1

  • Inchikey: SRMXTHVXRZJIAQ-UCHDDLIBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H33N3O7

  • Molecular weight: 511.60

  • Monoisotopic mass: 511.2318504

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