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Rostratin D

  • Formula: C18H20N2O6S4

  • Molecular weight: 488.60

  • Smiles: C1C(C(C2C(C1=O)CC34N2C(=O)C5(CC6C(N5C3=O)C(C(CC6=O)S)O)SS4)O)S

  • Type: Epipolythiopiperazine-3,6-dione

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Rostratin D

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

Names

  • Mycotoxin name: Rostratin D

  • First synonym: None

  • Synonyms: rostratin D,CHEBI:66313,(3R,4R,4aR,6aR,7aS,10R,11R,11aR,13aR,14aR)-4,11-dihydroxy-3,10-disulfanyldecahydro-1H,7H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13(7aH)-tetrone,(1R,4R,5R,6R,9S,11R,14R,15R,16R,19S)-5,15-dihydroxy-6,16-bis(sulfanyl)-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone,(1R,4R,5R,6R,9S,11R,14R,15R,16R,19S)-5,15-dihydroxy-6,16-bis(sulfanyl)-21,22-dithia-3,13-diazahexacyclo(9.9.2.01,13.03,11.04,9.014,19)docosane-2,8,12,18-tetrone,(3R,4R,4aR,6aR,7aS,10R,11R,11aR,13aR,14aR)-4,11-dihydroxy-3,10-disulfanyldecahydro-1H,7H-6a,13a-epidithiopyrazino(1,2-a:4,5-a')diindole-1,6,8,13(7aH)-tetrone,CHEMBL515973,Q27134857,752236-19-4

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Structure

  • Smiles: C1C(C(C2C(C1=O)CC34N2C(=O)C5(CC6C(N5C3=O)C(C(CC6=O)S)O)SS4)O)S

  • Isomeric smiles: C1[C@H]([C@@H]([C@H]2[C@@H](C1=O)C[C@]34N2C(=O)[C@@]5(C[C@H]6[C@@H](N5C3=O)[C@H]([C@@H](CC6=O)S)O)SS4)O)S

  • Inchi: InChI=1S/C18H20N2O6S4/c21-7-1-9(27)13(23)11-5(7)3-17-15(25)20-12-6(8(22)2-10(28)14(12)24)4-18(20,30-29-17)16(26)19(11)17/h5-6,9-14,23-24,27-28H,1-4H2/t5-,6-,9-,10-,11-,12-,13+,14+,17-,18-/m1/s1

  • Inchikey: GCSPJPVOPHGWRM-XPMVLQEKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H20N2O6S4

  • Molecular weight: 488.60

  • Monoisotopic mass: 488.02042106

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