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Entry
CA01044                                                            

Classification
Carotenoid Name
all-trans-13,14-Dihydroretinol;
13,14-Dihdroretinol
IUPAC name 13,14-Dihydro-15-Apo-beta-caroten-15-ol
Formula
C20H32O
Molecular Weight 
288.456 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
4
Number of
conjugated multiple bonds 
4
Isomers 
InChI
InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,17,21H,7,10,13-15H2,1-5H3/b9-6+,12-11+,16-8+
InChIKey
OVBOQVAIYMSUDT-HRYGCDPOSA-N
Canonical SMILES
OCCC(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)C
XLogP
6.514
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
1
Complexity of molecule
0.113
Number of heavy atoms
21
TPSA
(Topological Polar Surface Area) 
20.230 Å2
Source organisms

References

CAS
115797-14-3
Links to other DB

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