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Entry
CA00968                                                            

Classification
Carotenoid Name
Pyrrhoxanthin 5,8-furanoxide
IUPAC name (3S,5R,6S,3'R)-5,8-Epoxy-3'-ethanoyloxy-3-hydroxy-6,7,7',8'-tetradehydro-5,6,7,8-tetrahydro-12',13',20'-trinor-beta,beta-caroten-19,11-olide
Formula
C39H48O6
Molecular Weight 
612.774 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7 including one lactone (7 in total)
Number of
conjugated multiple bonds 
9 including one lactone (9 in total)
Isomers 
  • Constitutional isomer: CA00982, CA00578, CA00675
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.076
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    6
    LipinskiFailures
    1
    Complexity of molecule
    0.333
    Number of heavy atoms
    45
    TPSA
    (Topological Polar Surface Area) 
    82.060 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Corbicula japonica (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    References
  • Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
  • CAS
    -
    Links to other DB

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