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Aureobasidin c

  • Formula: C59H90N8O11

  • Molecular weight: 1087.40

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C(C)(C)O)C)CC(C)C)C(C)C)C)C(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C

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Aureobasidin c

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

Names

  • Mycotoxin name: Aureobasidin c

  • First synonym: Aureobasidin c

  • Synonyms: Aureobasidin C

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C(C)(C)O)C)CC(C)C)C(C)C)C)C(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C

  • Isomeric smiles: CC[C@H](C)[C@H]1C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N([C@H](C(=O)NC(C(=O)N([C@@H](C(=O)O1)C(C)(C)O)C)CC(C)C)C(C)C)C)C(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C

  • Inchi: InChI=1S/C59H90N8O11/c1-17-38(10)48-57(75)65(15)47(37(8)9)52(70)61-42(32-39-25-20-18-21-26-39)53(71)63(13)44(33-40-27-22-19-23-28-40)55(73)67-30-24-29-43(67)50(68)62-45(35(4)5)56(74)64(14)46(36(6)7)51(69)60-41(31-34(2)3)54(72)66(16)49(58(76)78-48)59(11,12)77/h18-23,25-28,34-38,41-49,77H,17,24,29-33H2,1-16H3,(H,60,69)(H,61,70)(H,62,68)/t38-,41?,42+,43-,44+,45-,46-,47+,48-,49-/m0/s1

  • Inchikey: VOHALDDSFQVBOL-IVMXXMEGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C59H90N8O11

  • Molecular weight: 1087.40

  • Monoisotopic mass: 1086.67290572

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