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14:1 cholesteryl ester-d7

CAT: 0804-HY-146774S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-146774S-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
14:1 cholesteryl ester-d7 is deuterium labeled 14:1 cholesteryl ester.
CAS Number
2342574-68-7
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
C[C@@]12[C@]3([H])[C@](CC=C1C[C@H](CC2)OC(CCCCCCC/C=C\CCCC)=O)([H])[C@@]4([H])[C@](CC3)([C@@](CC4)([H])[C@H](C)CCCC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])C
Molecular Formula
C41H63D7O2
Molecular Weight
602.04
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

14:1 Cholesteryl ester-d7
CAS Number2342574-68-7
PubChem CID146035630
IUPAC Name[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-tetradec-9-enoate
Molecular FormulaC41H70O2
Molecular Weight602.0
XLogP14.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Heavy Atom Count43
Formal Charge0
Complexity915
SMILES
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCCCCCC/C=C\CCCC)C)C)C([2H])([2H])[2H]
InChI
InChI=1S/C41H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h10-11,22,31-32,34-38H,7-9,12-21,23-30H2,1-6H3/b11-10-/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1/i2D3,3D3,31D
InChIKey
LAMGDJMPDNVWTB-MHKUVELWSA-N
Chemical Structure
2D Structure
2D structure of 14:1 Cholesteryl ester-d7
CAS: 2342574-68-7
CID: 146035630
Formula: C41H70O2
MW: 602.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight602.0
XLogP314.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Exact Mass601.58151869
Monoisotopic Mass601.58151869
Topological Polar Surface Area26.3 Ų
Heavy Atom Count43
Formal Charge0
Complexity915
Isotope Atom Count7
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C3010-02CES1 (Carboxylesterase 1, ACAT, CEH, Monocyte/macrophage serine esterase 1, HMSE, HMSE1, MGC117365, PCE-1, SES1, TGH, acyl coenzyme A:cholesterol acyltransferase, carboxylesterase 1, carboxylesterase 2 (liver), cholesteryl ester hydrolase, egasyn)
C3010-02ACES1 (Carboxylesterase 1, ACAT, CEH, Monocyte/macrophage serine esterase 1, HMSE, HMSE1, MGC117365, PCE-1, SES1, TGH, acyl coenzyme A:cholesterol acyltransferase, carboxylesterase 1, carboxylesterase 2 (liver), cholesteryl ester hydrolase, egasyn) (Not for Export EU)
MBS637552-01CES2, Recombinant, Human (Carboxylesterase, CES2 Monocyte/macrophage serine esterase 1, ACAT, CES2, HMSE, HMSE1, MGC117365, PCE-1, SES1, TGH, acyl coenzyme A:cholesterol acyltransferase, carboxylesterase 1, carboxylesterase 2 (liver), cholesteryl ester hy
C3010-02-PCES1 (Carboxylesterase 1, ACAT, CEH, Monocyte/macrophage serine esterase 1, HMSE, HMSE1, MGC117365, PCE-1, SES1, TGH, acyl coenzyme A:cholesterol acyltransferase, carboxylesterase 1, carboxylesterase 2 (liver), cholesteryl ester hydrolase, egasyn) (Control Peptide) discontinued
C3010-03BCES2, Recombinant, Human (Carboxylesterase, CES2 Monocyte/macrophage serine esterase 1, ACAT, CES2, HMSE, HMSE1, PCE-1, SES1, TGH, Acyl coenzyme A:Cholesterol acyltransferase, Carboxylesterase 1, Carboxylesterase 2 (liver), Cholesteryl ester hydrolase, Egasyn)
221649-01CES1 (ACAT, Acyl coenzyme A cholesterol acyltransferase, Acyl-coenzyme A:cholesterol acyltransferase, Brain Carboxylesterase hBr1, Carboxyesterase ES-3, Carboxylesterase, Carboxylesterase 1 (monocyte/macrophage Serine esterase 1), Carboxylesterase 1, Carboxylesterase 1 deficiency, included, Carboxylesterase 2, formerly, CE 1, CEH, Ces-1, Ces1, CES2, CESDD1, Cholesterol ester Hydrolase, neutral, macrophage-derived, Cholesteryl ester Hydrolase, Cocaine Carboxylesterase, EC 3.1.1.1, Egasyn, ES-HTEL, ES-x, Es22, EST1_HUMAN, Esterase 22, Esterase, hCE 1, HMSE, HMSE1, Liver Carboxylesterase 1, Liver Carboxylesterase 3, Methylumbelliferyl acetate Deacetylase 1, MGC117365, MGC156521, Monocyte Carboxylesterase deficiency, included, Monocyte esterase deficiency, included, Monocyte/macrophage Serine esterase, PCE-1, pI 5.5 esterase, Proline-beta-naphthylamidase, REH, Retinyl ester Hydrolase, Serine esterase 1, Ses-1, SES1, TGH, Triacylglycerol Hydrolase, ) discontinued
TRC-C432513-5MG16:0 Cholesteryl-d7 Ester
KQD66927-0115:0 Cholesteryl-d7 ester
RGC27536-01Cholesteryl (d7) linoleate
AR-C07291-01Cholesteryl Oleate-d7

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