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Squalene

CAT: 0931-T4749-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T4749-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111-02-4
Target
Antifungal, ROS, Endogenous Metabolite, Reactive Oxygen Species
Related Pathways
Microbiology/Virology, Immunology/Inflammation, Metabolism, NF-κB
Purity
0.9933
Bioactivity
Squalene (AddaVax) is an intermediate in cholesterol synthesis. Squalene has a variety of pharmacological properties, such as antilipemic, hepatoprotective, anti-atherosclerotic, cardioprotective, antioxidant, antitumor and antifungal.
Smiles
CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
Molecular Formula
C30H50
Molecular Weight
410.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Squalene

Squalene is a triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite and a human metabolite.

CAS Number111-02-4
PubChem CID638072
IUPAC Name(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Molecular FormulaC30H50
Molecular Weight410.7
XLogP11.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
Heavy Atom Count30
Formal Charge0
Complexity578
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
InChI
InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKey
YYGNTYWPHWGJRM-AAJYLUCBSA-N
Chemical Structure
2D Structure
2D structure of Squalene
CAS: 111-02-4
CID: 638072
Formula: C30H50
MW: 410.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.7
XLogP311.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
Exact Mass410.391251595
Monoisotopic Mass410.391251595
Topological Polar Surface Area0 Ų
Heavy Atom Count30
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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