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Rostratin A

  • Formula: C18H24N2O6S2

  • Molecular weight: 428.50

  • Smiles: C1CC(C2C(C1O)CC34N2C(=O)C5(CC6C(CCC(C6N5C3=O)O)O)SS4)O

  • Type: Epipolythiopiperazine-3,6-dione

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Rostratin A

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

Names

  • Mycotoxin name: Rostratin A

  • First synonym: None

  • Synonyms: rostratin A,CHEBI:66310,(1R,4S,5S,8S,9S,11R,14S,15S,18S,19S)-5,8,15,18-Tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,12-dione,752236-16-1,(1S,4S,4aS,6aR,7aS,8S,11S,11aS,13aR,14aS)-1,4,8,11-tetrahydroxydodecahydro-1H,7H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-6,13-dione,(1R,4S,5S,8S,9S,11R,14S,15S,18S,19S)-5,8,15,18-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo(9.9.2.01,13.03,11.04,9.014,19)docosane-2,12-dione,(1S,4S,4aS,6aR,7aS,8S,11S,11aS,13aR,14aS)-1,4,8,11-tetrahydroxydodecahydro-1H,7H-6a,13a-epidithiopyrazino(1,2-a:4,5-a')diindole-6,13-dione,CHEMBL462959,SCHEMBL17971339,HY-N10203,CS-0372664,Q27134851

Identifiers / External links

Structure

  • Smiles: C1CC(C2C(C1O)CC34N2C(=O)C5(CC6C(CCC(C6N5C3=O)O)O)SS4)O

  • Isomeric smiles: C1C[C@@H]([C@@H]2[C@@H]([C@H]1O)C[C@]34N2C(=O)[C@@]5(C[C@@H]6[C@H](CC[C@@H]([C@H]6N5C3=O)O)O)SS4)O

  • Inchi: InChI=1S/C18H24N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-14,21-24H,1-6H2/t7-,8-,9+,10+,11+,12+,13+,14+,17-,18-/m1/s1

  • Inchikey: UJDXMQJEYGMBMN-FQPNBHNHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H24N2O6S2

  • Molecular weight: 428.50

  • Monoisotopic mass: 428.10757884

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