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Penitremone A

  • Formula: C37H45NO6

  • Molecular weight: 599.80

  • Smiles: CC1C2CC3C2C4=C(C1=O)C=CC5=C4C6=C(N5)C7(C(C6OC3(C)C)CCC8(C7(CCC9C81C(O1)C(C(O9)C(=C)C)O)C)O)C

  • Type: Tremorgen/ Penitrems

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Penitremone A

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

Names

  • Mycotoxin name: Penitremone A

  • First synonym: None

  • Synonyms: Penitremone-A,164124-57-6,AKOS040735628

Identifiers / External links

  • CAS: 164124-57-6

  • PubChem CID: 73154043

Structure

  • Smiles: CC1C2CC3C2C4=C(C1=O)C=CC5=C4C6=C(N5)C7(C(C6OC3(C)C)CCC8(C7(CCC9C81C(O1)C(C(O9)C(=C)C)O)C)O)C

  • Isomeric smiles: CC1C2CC3C2C4=C(C1=O)C=CC5=C4C6=C(N5)C7(C(C6OC3(C)C)CCC8(C7(CCC9C81C(O1)C(C(O9)C(=C)C)O)C)O)C

  • Inchi: InChI=1S/C37H45NO6/c1-15(2)29-28(40)32-37(44-32)22(42-29)11-12-34(6)35(7)19(10-13-36(34,37)41)30-26-25-21(38-31(26)35)9-8-17-24(25)23-18(16(3)27(17)39)14-20(23)33(4,5)43-30/h8-9,16,18-20,22-23,28-30,32,38,40-41H,1,10-14H2,2-7H3

  • Inchikey: CAWZUZRJLGSYNE-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C37H45NO6

  • Molecular weight: 599.80

  • Monoisotopic mass: 599.32468816

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