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Entry
CA00969                                                            
Classification
Carotenoid Name
β-Cryptoxanthin caprate;
beta-Cryptoxanthin caprate
IUPAC name (3R)-3-Decanoyloxy-beta,beta-Carotene
Formula
C50H74O2
Molecular Weight 
707.092 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
  • Constitutional isomer: CA01194, CA00930, CA00940
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    17.625
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.238
    Number of heavy atoms
    52
    TPSA
    (Topological Polar Surface Area) 
    26.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Citrus reticulata (Ref.292) - Land plant: mandarin orange, tangerine (Streptophyta - Rutaceae)
    References
  • Ref.292: Thomas Wingerath ,Wilhelm Stahl ,Dieter Kirsch, Raimund Kaufmann, and Helmut Sies, J. Agric. Food Chem., 1996, 44 (8), pp 2006–2013, DOI: 10.1021/jf960057y, "Fruit Juice Carotenol Fatty Acid Esters and Carotenoids As Identified by Matrix-Assisted Laser Desorption Ionization (MALDI) Mass Spectrometry".
    • CAS
    117191-85-2
    Links to other DB

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