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Entry
CA01147                                                            

Classification
Carotenoid Name
3,4-Didehydro-acycloretinal
IUPAC name 15-Apo-3,4-didehydro-psi-caroten-15-al
Formula
C20H26O
Molecular Weight 
282.408 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8 in cluding an aldehyde (8 in total)
Number of
conjugated multiple bonds 
8 in cluding an aldehyde (8 in total)
Isomers 
InChI
InChI=1S/C20H26O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h6-16H,1-5H3/b10-6+,12-7+,14-8+,18-11+,19-13+,20-15+
InChIKey
FNOVBOLFDRHANW-LEJUDFGISA-N
Canonical SMILES
O=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C=C(C)C)\C)\C)\C
XLogP
6.219
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
1
Complexity of molecule
0.000
Number of heavy atoms
21
TPSA
(Topological Polar Surface Area) 
17.070 Å2
Source organisms

References

CAS

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