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Sporidesmin B

  • Formula: C18H20ClN3O5S2

  • Molecular weight: 458.00

  • Smiles: CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O

  • Type: Epipolythiopiperazine-3,6-dione

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Sporidesmin B

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

Names

  • Mycotoxin name: Sporidesmin B

  • First synonym: None

  • Synonyms: SPORIDESMIN B,3351-96-0,UNII-0YY87TLX8U,0YY87TLX8U,SPORIDESMINE B,DL-SPORIDESMIN B,NSC 246153,NSC-246153,6-chloro-3-hydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione,SPORIDESMIN B, (+/-)-,3,11a-Epidithio-11aH-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b-hydroxy-7,8-dimethoxy-2,3,6-trimethyl-,6-chloro-3-hydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo(12.2.2.01,12.03,11.04,9)octadeca-4,6,8-triene-13,17-dione,DTXSID90955136,CHEBI:197643,NSC246153,Q27237363,9-Chloro-10b-hydroxy-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

Identifiers / External links

Structure

  • Smiles: CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O

  • Isomeric smiles: CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O

  • Inchi: InChI=1S/C18H20ClN3O5S2/c1-16-14(23)22-13-17(25,7-18(22,29-28-16)15(24)21(16)3)8-6-9(19)11(26-4)12(27-5)10(8)20(13)2/h6,13,25H,7H2,1-5H3

  • Inchikey: HCAHETRFJITQNU-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H20ClN3O5S2

  • Molecular weight: 458.00

  • Monoisotopic mass: 457.0532908

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Fungi

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