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Lutein

CAT: 0931-T3S1858-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T3S1858-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127-40-2
Target
Reactive Oxygen Species, Apoptosis, ROS, Endogenous Metabolite, Antibacterial
Related Pathways
Metabolism, NF-κB, Apoptosis, Immunology/Inflammation, Microbiology/Virology
Purity
0.98597
Bioactivity
1. Lutein (Xantofyl) has antitumour action. 2. Lutein has antimutagenic action. 3. Lutein has a wide range of antimicrobial action. 4. Lutein is potentially useful for treating macular degeneration.
Smiles
C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=1C(C)(C)C[C@H](O)CC1C)\C)\C)/C)/C)\[C@@H]2C(C)(C)C[C@@H](O)C=C2C
Molecular Formula
C40H56O2
Molecular Weight
568.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lutein A

Lutein is a carotenol. It has a role as a plant metabolite and a food colouring. It derives from a hydride of a (6'R)-beta,epsilon-carotene.

CAS Number127-40-2
PubChem CID5281243
IUPAC Name(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Molecular FormulaC40H56O2
Molecular Weight568.9
XLogP11
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity1270
SMILES
CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C
InChI
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1
InChIKey
KBPHJBAIARWVSC-RGZFRNHPSA-N
Chemical Structure
2D Structure
2D structure of Lutein A
CAS: 127-40-2
CID: 5281243
Formula: C40H56O2
MW: 568.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.9
XLogP311
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass568.42803102
Monoisotopic Mass568.42803102
Topological Polar Surface Area40.5 Ų
Heavy Atom Count42
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count9
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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