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Aspochalamin d

  • Formula: C44H55N5O4

  • Molecular weight: 717.90

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

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Aspochalamin d

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

Names

  • Mycotoxin name: Aspochalamin d

  • First synonym: Aspochalamin d

  • Synonyms: Aspochalamin D

Identifiers / External links

Structure

  • Smiles: CC1C2C(NC(=O)C23C(C=C(CCCCC(CC3=O)NC4=CC=CC=C4C(=O)NC(C)C(=O)NC=CC5=CNC6=CC=CC=C65)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(\CCCCC(CC3=O)NC4=CC=CC=C4C(=O)N[C@H](C)C(=O)N/C=C/C5=CNC6=CC=CC=C65)/C)C=C1C)CC(C)C

  • Inchi: InChI=1S/C44H55N5O4/c1-26(2)21-38-40-29(5)28(4)23-32-22-27(3)13-7-8-14-33(24-39(50)44(32,40)43(53)49-38)48-37-18-12-10-16-35(37)42(52)47-30(6)41(51)45-20-19-31-25-46-36-17-11-9-15-34(31)36/h9-12,15-20,22-23,25-26,29-30,32-33,38,40,46,48H,7-8,13-14,21,24H2,1-6H3,(H,45,51)(H,47,52)(H,49,53)/b20-19+,27-22-/t29-,30-,32+,33?,38+,40+,44-/m1/s1

  • Inchikey: PCJFHYLIYGCNOL-PTWPLCFUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C44H55N5O4

  • Molecular weight: 717.90

  • Monoisotopic mass: 717.42540525

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