Logo Anses
Logo Interreg

Sch 60059

  • Formula: C51H96O13

  • Molecular weight: 917.30

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

Download

Sch 60059

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

Names

  • Mycotoxin name: Sch 60059

  • First synonym: (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]oxyhexatriacon

  • Synonyms: (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-6,10,14,18,22,26,27-heptol,203061-30-7,Sch-60059,SCH 60059,MCULE-1269865975,NCGC00347748-02!(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-6,10,14,18,22,26,27-heptol

Identifiers / External links

  • CAS: 203061-30-7

  • PubChem CID: 9876222

  • Chemical Entities of Biological Interest (CHEBI): CHEBI:201019

Structure

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

  • Isomeric smiles: CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(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)O)O)O)O)O)O)O)C

  • Inchi: InChI=1S/C51H96O13/c1-37(2)18-12-24-46(5,57)25-13-26-47(6,58)27-14-28-48(7,59)29-15-30-49(8,60)31-16-32-50(9,61)33-17-34-51(10,62)41(53)22-21-38(3)19-11-20-39(4)23-35-63-45-44(56)43(55)42(54)40(36-52)64-45/h18-19,23,40-45,52-62H,11-17,20-22,24-36H2,1-10H3/b38-19+,39-23+/t40-,41?,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1

  • Inchikey: MONOOAYGIBRELN-REQVTYDXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C51H96O13

  • Molecular weight: 917.30

  • Monoisotopic mass: 916.68509311

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi