Obaculactone

[(Science: chemistry) a bitter, white, crystalline substance found in orange and lemon seeds. Origin: From NL. citrus Medica, var. Limonum, the scientific Name of the lemon.

Molecular Formula: C₂₆H₃₀O₈

InChI: InChI=1/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: InChIKey=KBDSLGBFQAGHBE-MSGMIQHVBF
SMILES: [H][C@]12CC(=O)OC[C@]13[C@@]4([H])CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@@]56[C@]4(C)C(=O)C[C@@]3([H])C(C)(C)O2)C7=COC=C7

CAS number 1180-71-8

Names:
    Citrolimonin
    Dictamnolactone
    Evodin
    Limonin
    limonin
    Limonin
    limonin
    Limonoate D-ring-lactone
    limonoate D-ring-lactone
    Limonoate D-ring-lactone
    Limonoic acid, di-delta-lactone
    Obaculactone
    7,16-Dioxo-7,16-dideoxylimondiol

Registries:
    PubChem CID 179651
    CAS 1180-71-8 (from NIST)
    ChEBI 16226
    Kegg C03514
    PubChem ID 10259167
    PubChem ID 6323