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Cephaibol a

  • Formula: C82H127N17O20

  • Molecular weight: 1671.00

  • Smiles: CCC(C)(C(=O)NC(C)(C)C(=O)N1CC(CC1C(=O)NC(CCC(=O)N)C(=O)NC(C)(CC)C(=O)N2CC(CC2C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)CO)O)O)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C

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Cephaibol a

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

Names

  • Mycotoxin name: Cephaibol a

  • First synonym: Cephaibol a

  • Synonyms: Cephaibol A

Identifiers / External links

Structure

  • Smiles: CCC(C)(C(=O)NC(C)(C)C(=O)N1CC(CC1C(=O)NC(CCC(=O)N)C(=O)NC(C)(CC)C(=O)N2CC(CC2C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)CO)O)O)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C

  • Isomeric smiles: CCC(C)(C(=O)NC(C)(C)C(=O)N1CC(CC1C(=O)NC(CCC(=O)N)C(=O)NC(C)(CC)C(=O)N2CC(CC2C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)CO)O)O)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C

  • Inchi: InChI=1S/C82H127N17O20/c1-20-81(18,91-63(108)54(37-46(3)4)87-60(105)42-84-67(112)75(6,7)93-69(114)77(10,11)95-70(115)78(12,13)94-68(113)76(8,9)89-62(107)55(85-47(5)101)39-49-31-26-23-27-32-49)71(116)96-80(16,17)73(118)98-43-51(102)40-57(98)65(110)88-53(34-35-59(83)104)61(106)92-82(19,21-2)74(119)99-44-52(103)41-58(99)66(111)90-79(14,15)72(117)97-36-28-33-56(97)64(109)86-50(45-100)38-48-29-24-22-25-30-48/h22-27,29-32,46,50-58,100,102-103H,20-21,28,33-45H2,1-19H3,(H2,83,104)(H,84,112)(H,85,101)(H,86,109)(H,87,105)(H,88,110)(H,89,107)(H,90,111)(H,91,108)(H,92,106)(H,93,114)(H,94,113)(H,95,115)(H,96,116)

  • Inchikey: GRLRXSCBAQPCSF-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C82H127N17O20

  • Molecular weight: 1671.00

  • Monoisotopic mass: 1669.94432951

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