Chem
J-GLOBAL ID：200907052682252979   Nikkaji number：J651.142B

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(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-/m1/s1
InChI key： ZRCXVNZZDQGBQT-BANQPSJHSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
Systematic name  (3)：
  • (3′R)-3′-ヒドロキシ-β,β-カロテン-4-オン
  • 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-ヒドロキシ-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル]-3,7,12,16-テトラメチルオクタデカ-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]-2,4,4-トリメチルシクロヘキサ-2-エン-1-オン
  • 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
Other name (3)：
  • 3′-ヒドロキシエキネノン
  • 3′-Hydroxyechinenone
  • (3′R)-3′-Hydroxy-β,β-caroten-4-one
KEGG COMPOUND： C15965
Thsaurus map：
Thesaurus Map

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