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Sch 60065

  • Formula: C51H96O12

  • Molecular weight: 901.30

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

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Sch 60065

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

Names

  • Mycotoxin name: Sch 60065

  • First synonym: Sch-60065

  • Synonyms: Sch-60065,SCH 60065,(30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26-hexol,203061-31-8

Identifiers / External links

  • CAS: 203061-31-8

  • PubChem CID: 9897632

  • Chemical Entities of Biological Interest (CHEBI): CHEBI:222987

Structure

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

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

  • Inchi: InChI=1S/C51H96O12/c1-38(2)19-12-24-46(5,56)26-14-28-48(7,58)30-16-32-50(9,60)34-18-35-51(10,61)33-17-31-49(8,59)29-15-27-47(6,57)25-13-22-39(3)20-11-21-40(4)23-36-62-45-44(55)43(54)42(53)41(37-52)63-45/h19-20,23,41-45,52-61H,11-18,21-22,24-37H2,1-10H3/b39-20+,40-23+/t41-,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1

  • Inchikey: KDSDRAPFJAZCEX-BXNNAIRLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C51H96O12

  • Molecular weight: 901.30

  • Monoisotopic mass: 900.69017849

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