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Aselacin b

  • Formula: C46H66N8O12

  • Molecular weight: 923.10

  • Smiles: CC1C(C(=O)NCCC(=O)NC(C(=O)NC(C(=O)NCC(=O)O1)CO)CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)CCCCCCCC(=O)C=CC=CCCCC(C)O

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Aselacin b

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

  • Mycotoxin name: Aselacin b

  • First synonym: Aselacin b

  • Synonyms: Aselacin B

Identifiers / External links

Structure

  • Smiles: CC1C(C(=O)NCCC(=O)NC(C(=O)NC(C(=O)NCC(=O)O1)CO)CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)CCCCCCCC(=O)C=CC=CCCCC(C)O

  • Isomeric smiles: CC1C(C(=O)NCCC(=O)NC(C(=O)NC(C(=O)NCC(=O)O1)CO)CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)CCCCCCCC(=O)/C=C/C=C/CCCC(C)O

  • Inchi: InChI=1S/C46H66N8O12/c1-29(56)15-9-5-3-6-10-16-32(57)17-11-7-4-8-12-20-39(59)51-35(21-22-38(47)58)44(63)54-42-30(2)66-41(61)27-50-43(62)37(28-55)53-45(64)36(52-40(60)23-24-48-46(42)65)25-31-26-49-34-19-14-13-18-33(31)34/h3,6,10,13-14,16,18-19,26,29-30,35-37,42,49,55-56H,4-5,7-9,11-12,15,17,20-25,27-28H2,1-2H3,(H2,47,58)(H,48,65)(H,50,62)(H,51,59)(H,52,60)(H,53,64)(H,54,63)/b6-3+,16-10+

  • Inchikey: YUBIUAUSTIXPQN-BOPDVPAVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C46H66N8O12

  • Molecular weight: 923.10

  • Monoisotopic mass: 922.48001957

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