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Aspereline c

  • Formula: C44H78N10O11

  • Molecular weight: 923.20

  • Smiles: CCC(C)C(C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)N1CCCC1CO)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C

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Aspereline c

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

  • Mycotoxin name: Aspereline c

  • First synonym: Aspereline c

  • Synonyms: aspereline C

Identifiers / External links

Structure

  • Smiles: CCC(C)C(C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)N1CCCC1CO)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C

  • Isomeric smiles: CC[C@H](C)[C@@H](C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1CO)NC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C

  • Inchi: InChI=1S/C44H78N10O11/c1-18-24(4)30(48-36(62)41(10,11)51-33(59)29(23(2)3)47-37(63)42(12,13)53-38(64)43(14,15)49-27(7)56)34(60)52-40(8,9)35(61)46-25(5)31(57)45-26(6)32(58)50-44(16,17)39(65)54-21-19-20-28(54)22-55/h23-26,28-30,55H,18-22H2,1-17H3,(H,45,57)(H,46,61)(H,47,63)(H,48,62)(H,49,56)(H,50,58)(H,51,59)(H,52,60)(H,53,64)/t24-,25-,26-,28-,29-,30-/m0/s1

  • Inchikey: HZQUHROMJDWEGY-QXUMGSNFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C44H78N10O11

  • Molecular weight: 923.20

  • Monoisotopic mass: 922.58515334

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