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Aspochalamin c

  • Formula: C44H55N5O5

  • Molecular weight: 733.90

  • Smiles: CC1C2C(NC(=O)C23C(C=C(CCCC(C(CC3=O)NC4=CC=CC=C4C(=O)NC(C)C(=O)NC=CC5=CNC6=CC=CC=C65)O)C)C=C1C)CC(C)C

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Aspochalamin c

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

Names

  • Mycotoxin name: Aspochalamin c

  • First synonym: Aspochalamin c

  • Synonyms: Aspochalamin C

Identifiers / External links

Structure

  • Smiles: CC1C2C(NC(=O)C23C(C=C(CCCC(C(CC3=O)NC4=CC=CC=C4C(=O)NC(C)C(=O)NC=CC5=CNC6=CC=CC=C65)O)C)C=C1C)CC(C)C

  • Isomeric smiles: C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CCCC(C(CC3=O)NC4=CC=CC=C4C(=O)N[C@H](C)C(=O)N/C=C/C5=CNC6=CC=CC=C65)O)/C)C=C1C)CC(C)C

  • Inchi: InChI=1S/C44H55N5O5/c1-25(2)20-37-40-28(5)27(4)22-31-21-26(3)12-11-17-38(50)36(23-39(51)44(31,40)43(54)49-37)48-35-16-10-8-14-33(35)42(53)47-29(6)41(52)45-19-18-30-24-46-34-15-9-7-13-32(30)34/h7-10,13-16,18-19,21-22,24-25,28-29,31,36-38,40,46,48,50H,11-12,17,20,23H2,1-6H3,(H,45,52)(H,47,53)(H,49,54)/b19-18+,26-21-/t28-,29-,31+,36?,37+,38?,40+,44-/m1/s1

  • Inchikey: YELHVTGJKDJFEW-XGZUFEHESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C44H55N5O5

  • Molecular weight: 733.90

  • Monoisotopic mass: 733.42031987

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