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Sch 64879

  • Formula: C51H94O12

  • Molecular weight: 899.30

  • Smiles: CC(=CCCC(=CCCC(=CCOC1C(C(C(C(O1)CO)O)O)O)C)C)CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC2C(O2)(C)C)O)O)O)O)O

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Sch 64879

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

Names

  • Mycotoxin name: Sch 64879

  • First synonym: Sch-64879

  • Synonyms: Sch-64879,SCH 64879

Identifiers / External links

  • CAS: 203061-32-9

  • PubChem CID: 9832752

  • Chemical Entities of Biological Interest (CHEBI): CHEBI:197631

Structure

  • Smiles: CC(=CCCC(=CCCC(=CCOC1C(C(C(C(O1)CO)O)O)O)C)C)CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC2C(O2)(C)C)O)O)O)O)O

  • Isomeric smiles: C/C(=C\CC/C(=C/CC/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC2C(O2)(C)C)O)O)O)O)O

  • Inchi: InChI=1S/C51H94O12/c1-37(19-12-21-39(3)24-35-61-45-44(55)43(54)42(53)40(36-52)62-45)18-11-20-38(2)22-13-25-47(6,56)26-14-27-48(7,57)28-15-29-49(8,58)30-16-31-50(9,59)32-17-33-51(10,60)34-23-41-46(4,5)63-41/h19-20,24,40-45,52-60H,11-18,21-23,25-36H2,1-10H3/b37-19+,38-20+,39-24+/t40-,41?,42-,43+,44-,45-,47?,48?,49?,50?,51?/m1/s1

  • Inchikey: JUOANPYYLHTFGA-DOHFIXSDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C51H94O12

  • Molecular weight: 899.30

  • Monoisotopic mass: 898.67452843

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