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Sporidesmin H

  • Formula: C18H20ClN3O4S2

  • Molecular weight: 442.00

  • Smiles: CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=C(N4C)C(=C(C=C5)OC)OC)Cl

  • Type: Epipolythiopiperazine-3,6-dione

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Sporidesmin H

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

Names

  • Mycotoxin name: Sporidesmin H

  • First synonym: None

  • Synonyms: sporidesmin H,65492-17-3,UNII-52F9L5D233,52F9L5D233,(+/-)-SPORIDESMIN H,3-chloro-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4(9),5,7-triene-13,17-dione,SPORIDESMIN H, (+/-)-,3,11a-Epidithio-11aH-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione, 10b-chloro-2,3,5a,6,10b,11-hexahydro-7,8-dimethoxy-2,3,6-trimethyl-,3-chloro-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo(12.2.2.01,12.03,11.04,9)octadeca-4(9),5,7-triene-13,17-dione,DTXSID50984088,CHEBI:219854,10b-Chloro-7,8-dimethoxy-2,3,6-trimethyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione,Q27261000

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Structure

  • Smiles: CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=C(N4C)C(=C(C=C5)OC)OC)Cl

  • Isomeric smiles: CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=C(N4C)C(=C(C=C5)OC)OC)Cl

  • Inchi: InChI=1S/C18H20ClN3O4S2/c1-16-14(23)22-13-17(19,8-18(22,28-27-16)15(24)21(16)3)9-6-7-10(25-4)12(26-5)11(9)20(13)2/h6-7,13H,8H2,1-5H3

  • Inchikey: GKVSMNKLUNEMTM-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H20ClN3O4S2

  • Molecular weight: 442.00

  • Monoisotopic mass: 441.0583762

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