Logo Anses
Logo Interreg

Tropolactone b

  • Formula: C28H36O8

  • Molecular weight: 500.60

  • Smiles: CC1=C(C(=O)C(=C2C(=C1)CC3C(O2)(CCC4C3(C(CC(=O)OC4(C)C)OC(=O)C)C)C)C)C(=O)OC

Download

Tropolactone b

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

Names

  • Mycotoxin name: Tropolactone b

  • First synonym: Tropolactone b

  • Synonyms: Tropolactone B

Identifiers / External links

Structure

  • Smiles: CC1=C(C(=O)C(=C2C(=C1)CC3C(O2)(CCC4C3(C(CC(=O)OC4(C)C)OC(=O)C)C)C)C)C(=O)OC

  • Isomeric smiles: CC1=C(C(=O)C(=C2C(=C1)C[C@@H]3[C@@](O2)(CC[C@@H]4[C@@]3([C@@H](CC(=O)OC4(C)C)OC(=O)C)C)C)C)C(=O)OC

  • Inchi: InChI=1S/C28H36O8/c1-14-11-17-12-19-27(6,36-24(17)15(2)23(31)22(14)25(32)33-8)10-9-18-26(4,5)35-21(30)13-20(28(18,19)7)34-16(3)29/h11,18-20H,9-10,12-13H2,1-8H3/t18-,19+,20+,27-,28-/m0/s1

  • Inchikey: DYUKFMAGTDRGEF-GUDRDCPSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H36O8

  • Molecular weight: 500.60

  • Monoisotopic mass: 500.2410181

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