Substance
  • Substance Name: limonin
  • Formula: C26H30O8
  • Molecular Weight: 470.5 g/mol
  • Identifiers:
    • inchi: InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
    • inchikey: KBDSLGBFQAGHBE-MSGMIQHVSA-N
    • casrn: 1180-71-8
    • csmiles: CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C
    • ismiles: C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C
    • pubchemId: 179651
    • iupacname: (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
    • wikidataId: Q2398745
    • chemspiderId: 156367
    • dsstoxcmpId: DTXCID6025985
    • chemblId: CHEMBL517449
    • ecnumber: 808-129-1
limonin
Systems and Datasets