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Aspereline f

  • Formula: C46H82N10O11

  • Molecular weight: 951.20

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

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Aspereline f

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

Names

  • Mycotoxin name: Aspereline f

  • First synonym: Aspereline f

  • Synonyms: aspereline F

Identifiers / External links

Structure

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

  • Isomeric smiles: CC[C@H](C)[C@@H](C(=O)NC(C)(C)C(=O)NC(C)(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@H](C(C)C)NC(=O)C(C)(C)NC(=O)C

  • Inchi: InChI=1S/C46H82N10O11/c1-19-26(6)32(50-39(65)43(11,12)53-35(61)31(25(4)5)48-34(60)30(24(2)3)49-38(64)42(9,10)51-28(8)58)36(62)54-45(15,16)40(66)55-44(13,14)37(63)47-27(7)33(59)52-46(17,18)41(67)56-22-20-21-29(56)23-57/h24-27,29-32,57H,19-23H2,1-18H3,(H,47,63)(H,48,60)(H,49,64)(H,50,65)(H,51,58)(H,52,59)(H,53,61)(H,54,62)(H,55,66)/t26-,27-,29-,30-,31-,32-/m0/s1

  • Inchikey: BAAJDOCUARFBOQ-BJBMLRQCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C46H82N10O11

  • Molecular weight: 951.20

  • Monoisotopic mass: 950.61645347

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