Logo Anses
Logo Interreg

19,20-Epoxycytochalasin R

  • Formula: C30H37NO8

  • Molecular weight: 539.60

  • Smiles: CC1CC2C(O2)C3C4C(O4)(C(C5C3(C(C6C(O6)C(C1=O)(C)O)OC(=O)C)C(=O)NC5CC7=CC=CC=C7)C)C

  • Type: Cytochalasan

Download

19,20-Epoxycytochalasin R

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

Names

  • Mycotoxin name: 19,20-Epoxycytochalasin R

  • First synonym: None

  • Synonyms: 19,20-Epoxycytochalasin R,[(1R,2S,3S,5R,6R,8S,10S,14S,16R,17S,18R,19S)-19-benzyl-6-hydroxy-6,8,16,17-tetramethyl-7,21-dioxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.01,18.03,5.010,12.014,16]henicosan-2-yl] acetate,((1R,2S,3S,5R,6R,8S,10S,14S,16R,17S,18R,19S)-19-benzyl-6-hydroxy-6,8,16,17-tetramethyl-7,21-dioxo-4,11,15-trioxa-20-azahexacyclo(11.8.0.01,18.03,5.010,12.014,16)henicosan-2-yl) acetate,CHEBI:200362

Identifiers / External links

Structure

  • Smiles: CC1CC2C(O2)C3C4C(O4)(C(C5C3(C(C6C(O6)C(C1=O)(C)O)OC(=O)C)C(=O)NC5CC7=CC=CC=C7)C)C

  • Isomeric smiles: C[C@H]1C[C@H]2C(O2)C3[C@H]4[C@](O4)([C@H]([C@@H]5[C@@]3([C@@H]([C@H]6[C@@H](O6)[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]5CC7=CC=CC=C7)C)C

  • Inchi: InChI=1S/C30H37NO8/c1-13-11-18-21(37-18)20-24-29(5,39-24)14(2)19-17(12-16-9-7-6-8-10-16)31-27(34)30(19,20)26(36-15(3)32)22-25(38-22)28(4,35)23(13)33/h6-10,13-14,17-22,24-26,35H,11-12H2,1-5H3,(H,31,34)/t13-,14-,17-,18-,19-,20?,21?,22+,24-,25+,26+,28-,29+,30+/m0/s1

  • Inchikey: DMPLSVXMELJNKE-GMXKIONFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H37NO8

  • Molecular weight: 539.60

  • Monoisotopic mass: 539.25191714

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