Chem
J-GLOBAL ID：200907048668532538   Nikkaji number：J652.597K

3-Hydroxyechinenone

3-ヒドロキシエキネノン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H54O2
Molecular formula furigana： C40-H54-O2
Molecular weight： 566.870
InChI： InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,37,41H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t37-/m0/s1
InChI key： DFNMSBYEEKBETA-JZLJSYQFSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
Systematic name  (3)：
  • (3S)-3-ヒドロキシ-β,β-カロテン-4-オン
  • (6S)-6-ヒドロキシ-2,4,4-トリメチル-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-テトラメチル-18-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)オクタデカ-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]シクロヘキサ-2-エン-1-オン
  • (6S)-6-hydroxy-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one
Other name (5)：
  • 3-ヒドロキシエキネノン
  • 3-Hydroxyechinenone
  • (3S)-3-Hydroxy-β,β-caroten-4-one
  • ヒドロエキネノン
  • Hydroechinenone
KEGG COMPOUND： C15966
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