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CHEBI:43140 - 3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-OCTADECA-1,3,5,7,9,11,13,15, 17-NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-2-ENONE

Default Structure
ChEBI IDCHEBI:43140
ChEBI Name3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-OCTADECA-1,3,5,7,9,11,13,15, 17-NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-2-ENONE
Stars
DownloadsMolfile
FormulaC40H54O2
Net Charge0
Average Mass566.870
Monoisotopic Mass566.41238
SMILES[H]O[C@@]1([H])C([H])([H])C(C([H])([H])[H])=C(/C([H])=C([H])/C(=C([H])/C([H])=C([H])/C(=C([H])/C([H])=C([H])/C([H])=C(C(/[H])=C([H])/C([H])=C(C(/[H])=C(\[H])C2=C(C([H])([H])[H])C(=O)C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H]
InChIInChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-36-33(5)27-35(41)28-40(36,9)10)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)38(42)25-26-39(37,7)8/h11-24,35,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-/m0/s1
InChIKeyZRCXVNZZDQGBQT-YGHCRLPZSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-OCTADECA-1,3,5,7,9,11,13,15, 17-NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-2-ENONE (CHEBI:43140) is a unclassifieds (CHEBI:27189)
Synonym  Source
3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-OCTADECA-1,3,5,7,9,11,13,15, 17-NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-2-ENONEPDBeChem
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