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Sirodesmin G

  • Formula: C20H26N2O8S2

  • Molecular weight: 486.60

  • Smiles: CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(N(C4=O)C)(SS5)CO)O)(C)C

  • Type: Epipolythiopiperazine-3,6-dione

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Sirodesmin G

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

Names

  • Mycotoxin name: Sirodesmin G

  • First synonym: None

  • Synonyms: 64599-26-4,Sirodesmin G,[(3S,4S,5S,5'R,7R,10S)-3-Hydroxy-10-(hydroxymethyl)-4',4',5',14-tetramethyl-3',9,13-trioxospiro[11,12-dithia-8,14-diazatetracyclo[8.2.2.01,8.03,7]tetradecane-5,2'-oxolane]-4-yl] acetate

Identifiers / External links

  • CAS: 64599-26-4

  • PubChem CID: 182436

Structure

  • Smiles: CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(N(C4=O)C)(SS5)CO)O)(C)C

  • Isomeric smiles: C[C@@H]1C(C(=O)[C@]2(O1)C[C@@H]3[C@]([C@@H]2OC(=O)C)(CC45N3C(=O)[C@@](N(C4=O)C)(SS5)CO)O)(C)C

  • Inchi: InChI=1S/C20H26N2O8S2/c1-9-16(3,4)12(25)18(30-9)6-11-17(28,13(18)29-10(2)24)7-19-14(26)21(5)20(8-23,32-31-19)15(27)22(11)19/h9,11,13,23,28H,6-8H2,1-5H3/t9-,11-,13+,17+,18-,19?,20+/m1/s1

  • Inchikey: KTAIGLOGMSQPCG-ATVMRAQZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H26N2O8S2

  • Molecular weight: 486.60

  • Monoisotopic mass: 486.11305814

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