Chem
J-GLOBAL ID：200907066155326221   Nikkaji number：J39.830F

ξ-Carotene

ξ-カロテン
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： C40H60
Molecular formula furigana： C40-H60
Molecular weight： 540.920
InChI： InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
InChI key： BIWLELKAFXRPDE-WTXAYMOSSA-N
SMILES： CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C
Systematic name  (3)：
  • 7,7′,8,8′-テトラヒドロ-ψ,ψ-カロテン
  • (6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-オクタメチルドトリアコンタ-2,6,10,12,14,16,18,20,22,26,30-ウンデカエン
  • (6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
Other name (3)：
  • ξ-カロテン
  • ξ-Carotene
  • 7,7′,8,8′-Tetrahydro-ψ,ψ-carotene
CAS registry number： 13587-06-9
KEGG COMPOUND： C05430
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