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Asperiamide c

  • Formula: C45H83NO9

  • Molecular weight: 782.10

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

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Asperiamide c

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

  • Mycotoxin name: Asperiamide c

  • First synonym: Asperiamide c

  • Synonyms: Asperiamide C

Identifiers / External links

Structure

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

  • Isomeric smiles: CCCCCCCCCCCCC/C(=C/CC/C=C/[C@H](C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)[C@@H](/C=C/CCCCCCCCCCCC)O)O)/C

  • Inchi: InChI=1S/C45H83NO9/c1-4-6-8-10-12-14-16-18-20-22-24-28-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-25-27-31-36(3)30-26-23-21-19-17-15-13-11-9-7-5-2/h28-29,31-33,37-43,45,47-52H,4-27,30,34-35H2,1-3H3,(H,46,53)/b32-29+,33-28+,36-31+/t37?,38-,39-,40-,41-,42+,43-,45-/m1/s1

  • Inchikey: FLCIOTVHCJKHJR-LWZWQNNYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C45H83NO9

  • Molecular weight: 782.10

  • Monoisotopic mass: 781.60678323

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