Chem
J-GLOBAL ID：200907055611268806   Nikkaji number：J522.341E

9-cis-Lutein

9-cis-ルテイン
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： C40H56O2
Molecular formula furigana： C40-H56-O2
Molecular weight： 568.886
InChI： InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20-/t35-,36+,37-/m0/s1
InChI key： KBPHJBAIARWVSC-HPIWMWCCSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/[C@H]1C(=C[C@H](O)CC1(C)C)C
Systematic name  (4)：
  • (3R,3′R,9Z)-β,ε-カロテン-3,3′-ジオール
  • (3R,3′R,6′R,9Z)-β,ε-カロテン-3,3′-ジオール
  • (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15Z,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]-3,5,5-トリメチルシクロヘキサ-2-エン-1-オール
  • (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15Z,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]-3,5,5-trimethylcyclohex-2-en-1-ol
Other name (8)：
  • (3R,3′R,9Z)-β,ε-Carotene-3,3′-diol
  • 9-cis-ルテイン
  • 9-cis-Lutein
  • (3R,3′R,6′R,9Z)-β,ε-Carotene-3,3′-diol
  • ネオルテインB
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CAS registry number： 29414-89-9
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