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Cholesteryl arachidonate

CAT: 0024-sc-280640Size: 10 mgDry Ice: NoHazardous: No
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CAS Number
604-34-2

Chemical Information

Cholesteryl arachidonate

Cholesteryl arachidonate is a cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of arachidonic acid. It has a role as an antibacterial agent and a mouse metabolite. It is functionally related to an arachidonic acid.

CAS Number604-34-2
PubChem CID6479222
IUPAC Name[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Molecular FormulaC47H76O2
Molecular Weight673.1
XLogP15.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Heavy Atom Count49
Formal Charge0
Complexity1140
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI
InChI=1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKey
IMXSFYNMSOULQS-BEDFLICRSA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl arachidonate
CAS: 604-34-2
CID: 6479222
Formula: C47H76O2
MW: 673.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight673.1
XLogP315.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Exact Mass672.58453166
Monoisotopic Mass672.58453166
Topological Polar Surface Area26.3 Ų
Heavy Atom Count49
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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sc-214698Cholesteryl hexanoate
sc-214698ACholesteryl hexanoate
sc-214697Cholesteryl erucate
sc-214708ACholesteryl stearate
sc-294018Cholesteryl Iodide
sc-294015CCholesteryl butyrate
sc-214699ACholesteryl linoleate

Alternative Products

CatalogName
TRC-C432583-5MGCholesteryl Arachidonate
HY-113369SCholesteryl arachidonate-d8
HY-W009001-01Cholesteryl chloride
HY-W010800-01Cholesteryl hemisuccinate
ZCA89297-01Cholesteryl eicosapentaenoate
YCA02496-01Cholesteryl lignocerate
CAA93080Cholesteryl iodide
HY-166274-01Cholesteryl tricosanoate
HY-166289-01Cholesteryl myristoleate
HY-166271-01Cholesteryl tridecanoate

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