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Cholesteryl hemisuccinate (CHEMS)

CAT: 0752-23967-1Size: 1 gDry Ice: NoHazardous: No
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CAT#:0752-23967-1Size:1 g
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CAS Number
1510-21-0
IATA Restriction
False
HS Code
2922.19.9000
Storage Conditions
Keep container tight closed in a dry and well-ventilated place, -20°C

Chemical Information

Cholesteryl hemisuccinate

Cholesteryl hemisuccinate is a dicarboxylic acid monoester resulting from the formal condensation of the hydroxy group of cholesterol with one of the carboxy groups of succinic acid. A detergent that is often used to replace cholesterol in protein crystallography, biochemical studies of proteins, and pharmacology. It has a role as a detergent. It is a cholestane ester, a hemisuccinate and a dicarboxylic acid monoester. It is functionally related to a cholesterol.

CAS Number1510-21-0
PubChem CID65082
IUPAC Name4-[[(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]oxy]-4-oxobutanoic acid
Molecular FormulaC31H50O4
Molecular Weight486.7
XLogP8.5
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity815
SMILES
C[C@H](CCCC(C)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)CCC(=O)O)C)C
InChI
InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKey
WLNARFZDISHUGS-MIXBDBMTSA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl hemisuccinate
CAS: 1510-21-0
CID: 65082
Formula: C31H50O4
MW: 486.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.7
XLogP38.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass486.37091007
Monoisotopic Mass486.37091007
Topological Polar Surface Area63.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity815
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-W010800-01Cholesteryl hemisuccinate
414882Cholesteryl Hemisuccinate
CEA60149Cholesteryl hemisuccinate tris
900116Cholesteryl Hemisuccinate (CHS)
HY-W010800R-01Cholesteryl hemisuccinate (Standard)
JH918370Cholesteryl Hemisuccinate Tris Salt
900116KHCholesteryl Hemisuccinate (CHS) -KLH

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