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Asperiamide b

  • Formula: C42H75NO9

  • Molecular weight: 738.00

  • Smiles: CCCCCCCCCCCCCCCCCCCCC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)C(C=CC=CC=CC=CCCC)O)O

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Asperiamide b

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

  • Mycotoxin name: Asperiamide b

  • First synonym: Asperiamide b

  • Synonyms: Asperiamide B

Identifiers / External links

Structure

  • Smiles: CCCCCCCCCCCCCCCCCCCCC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)C(C=CC=CC=CC=CCCC)O)O

  • Isomeric smiles: CCCCCCCCCCCCCCCCCCCC[C@H]([C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)[C@@H](/C=C/C=C/C=C/C=C/CCC)O)O

  • Inchi: InChI=1S/C42H75NO9/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-28-30-35(45)34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)43-41(50)36(46)31-29-27-25-22-12-10-8-6-4-2/h8,10,12,22,25,27,29,31,34-40,42,44-49H,3-7,9,11,13-21,23-24,26,28,30,32-33H2,1-2H3,(H,43,50)/b10-8+,22-12+,27-25+,31-29+/t34-,35+,36+,37+,38+,39-,40+,42?/m0/s1

  • Inchikey: XYVQIIFHEOOJMH-NZBJCEFGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C42H75NO9

  • Molecular weight: 738.00

  • Monoisotopic mass: 737.54418297

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