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Rostratin C

  • Formula: C20H24N2O8S2

  • Molecular weight: 484.50

  • Smiles: COC1CC(=O)C2CC34C(=O)N5C6C(CC5(C(=O)N3C2C1O)SS4)C(=O)CC(C6O)OC

  • Type: Epipolythiopiperazine-3,6-dione

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Rostratin C

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

Names

  • Mycotoxin name: Rostratin C

  • First synonym: None

  • Synonyms: rostratin C,CHEBI:66312,(1R,4R,5R,6S,9S,11R,14R,15R,16S,19S)-5,15-Dihydroxy-6,16-dimethoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone,(3S,4R,4aR,6aR,7aS,10S,11R,11aR,13aR,14aS)-4,11-dihydroxy-3,10-dimethoxydecahydro-1H,7H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13(7aH)-tetrone,752236-18-3,(1R,4R,5R,6S,9S,11R,14R,15R,16S,19S)-5,15-dihydroxy-6,16-dimethoxy-21,22-dithia-3,13-diazahexacyclo(9.9.2.01,13.03,11.04,9.014,19)docosane-2,8,12,18-tetrone,(3S,4R,4aR,6aR,7aS,10S,11R,11aR,13aR,14aS)-4,11-dihydroxy-3,10-dimethoxydecahydro-1H,7H-6a,13a-epidithiopyrazino(1,2-a:4,5-a')diindole-1,6,8,13(7aH)-tetrone,CHEMBL457599,HY-N10205,CS-0372685,Q27134856

Identifiers / External links

Structure

  • Smiles: COC1CC(=O)C2CC34C(=O)N5C6C(CC5(C(=O)N3C2C1O)SS4)C(=O)CC(C6O)OC

  • Isomeric smiles: CO[C@H]1CC(=O)[C@H]2C[C@@]34C(=O)N5[C@@H]6[C@H](C[C@]5(C(=O)N3[C@H]2[C@H]1O)SS4)C(=O)C[C@@H]([C@@H]6O)OC

  • Inchi: InChI=1S/C20H24N2O8S2/c1-29-11-3-9(23)7-5-19-18(28)22-14-8(10(24)4-12(30-2)16(14)26)6-20(22,32-31-19)17(27)21(19)13(7)15(11)25/h7-8,11-16,25-26H,3-6H2,1-2H3/t7-,8-,11+,12+,13-,14-,15+,16+,19-,20-/m1/s1

  • Inchikey: WZZFRBNMRXVFNQ-UDLXUQTMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H24N2O8S2

  • Molecular weight: 484.50

  • Monoisotopic mass: 484.09740808

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Fungi

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