Chem
J-GLOBAL ID：200907077568648520   Nikkaji number：J661.607K

Phoenicoxanthin

フェニコキサンチン
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： C40H52O3
Molecular formula furigana： C40-H52-O3
Molecular weight： 580.853
InChI： InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+
InChI key： OOUTWVMJGMVRQF-ROKXECAJSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C
Systematic name  (3)：
  • 3-ヒドロキシ-β,β-カロテン-4,4′-ジオン
  • 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-3-オキソシクロヘキサ-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
  • 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-trimethyl-3-oxocyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one
Other name (3)：
  • フェニコキサンチン
  • Phoenicoxanthin
  • 3-Hydroxy-β,β-carotene-4,4′-dione
CAS registry number： 4418-72-8
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