Canthaxanthin

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Catalog Number
ACM514783
Product Name
Canthaxanthin
Structure
Structure
CAS
514-78-3
Category
Main Products
Synonyms
Aphanicin
IUPAC Name
2,4,4-Trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
Molecular Weight
564.85
Molecular Formula
C40H52O2
Canonical SMILES
CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C
InChI
InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChI Key
FDSDTBUPSURDBL-DKLMTRRASA-N
Boiling Point
717.0±40.0 °C
Melting Point
217-218 °C
Flash Point
253.9 °C
Density
1.003±0.06 g/cm³
Solubility
Slightly soluble in chloroform
Appearance
Solid
Storage
-20 °C
Assay
0.99
Complexity
1270
Exact Mass
564.396730897
Isomeric SMILES
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C
Monoisotopic Mass
564.396730897
Packaging
1 kg
Packing Group
II
Refractive Index
1.575
Safety Description
45-36/37/39-28A-26
Storage Conditions
0-6°C
Topological Polar Surface Area
34.1 Ų
WGK Germany
3
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