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Entry
CA00373                                                            

Classification
Carotenoid Name
(2R,2'S)-2,2'-Dihydroxy-β-carotene;
(2R,2'S)-2,2'-Dihydroxy-beta-carotene
IUPAC name (2R,2'S)-beta,beta-Carotene-2,2'-diol
Formula
C40H56O2
Molecular Weight 
568.848 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 
InChI

InChIKey

Canonical SMILES

XLogP
9.720
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
1
Complexity of molecule
0.306
Number of heavy atoms
42
TPSA
(Topological Polar Surface Area) 
40.460 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Extatosoma tiaratum (Ref.308) - Insect: giant prickly stick insect (Arthropoda (Insecta) - Phasmatidae)
References
  • Ref.308: Kayser, Hartmut, Zeitschrift fuer Naturforschung, C: Journal of Biosciences (1981), 36C(9-10), 755-64., "Carotenoids in the stick insect, Ectatosoma tiaratum. Isolation of β,ε-carotene-2-ol and β,ε-carotene-2-one".
  • CAS
    88903-62-2
    Links to other DB

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