Logo Anses
Logo Interreg

Roritoxin b

  • Formula: C29H34O11

  • Molecular weight: 558.60

  • Smiles: CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(C6O)O)C=CC=CC(=O)OC7C3(C8(CO8)C(C7)O2)C

Download

Roritoxin b

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

Names

  • Mycotoxin name: Roritoxin b

  • First synonym: Roritoxin b

  • Synonyms: Roritoxin B,(20E,22E)-25,26-dihydroxy-10,16-dimethylspiro[2,5,13,18,27,31-hexaoxaheptacyclo[22.4.3.114,17.01,3.07,12.07,16.024,28]dotriaconta-10,20,22-triene-15,2'-oxirane]-4,19-dione,102852-49-3

Identifiers / External links

  • CAS: 102852-49-3

  • PubChem CID: 5919741

Structure

  • Smiles: CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(C6O)O)C=CC=CC(=O)OC7C3(C8(CO8)C(C7)O2)C

  • Isomeric smiles: CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(C6O)O)/C=C\C=C/C(=O)OC7C3(C8(CO8)C(C7)O2)C

  • Inchi: InChI=1S/C29H34O11/c1-15-6-8-26-13-34-23(33)21-28(40-21)9-10-35-27(20(31)22(32)39-24(27)28)7-4-3-5-19(30)38-16-12-18(37-17(26)11-15)29(14-36-29)25(16,26)2/h3-5,7,11,16-18,20-22,24,31-32H,6,8-10,12-14H2,1-2H3/b5-3-,7-4-

  • Inchikey: WWNGAYLSKFTSBS-XDYPTIOJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H34O11

  • Molecular weight: 558.60

  • Monoisotopic mass: 558.2101119

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