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Cephaibol c

  • Formula: C81H125N17O20

  • Molecular weight: 1657.00

  • Smiles: CCC(C)(C(=O)NC(C)(C)C(=O)N1CC(CC1C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)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 c

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

Names

  • Mycotoxin name: Cephaibol c

  • First synonym: Cephaibol c

  • Synonyms: Cephaibol C

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)(C)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)(C)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/C81H125N17O20/c1-20-81(19,91-62(107)53(36-45(2)3)86-59(104)41-83-66(111)74(5,6)92-68(113)76(9,10)94-69(114)77(11,12)93-67(112)75(7,8)88-61(106)54(84-46(4)100)38-48-30-25-22-26-31-48)70(115)95-80(17,18)73(118)97-42-50(101)39-56(97)64(109)87-52(33-34-58(82)103)60(105)89-79(15,16)72(117)98-43-51(102)40-57(98)65(110)90-78(13,14)71(116)96-35-27-32-55(96)63(108)85-49(44-99)37-47-28-23-21-24-29-47/h21-26,28-31,45,49-57,99,101-102H,20,27,32-44H2,1-19H3,(H2,82,103)(H,83,111)(H,84,100)(H,85,108)(H,86,104)(H,87,109)(H,88,106)(H,89,105)(H,90,110)(H,91,107)(H,92,113)(H,93,112)(H,94,114)(H,95,115)

  • Inchikey: GXDCOMRETADJBG-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C81H125N17O20

  • Molecular weight: 1657.00

  • Monoisotopic mass: 1655.92867944

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