Cholesteryl hemisuccinate (CHEMS)

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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 Number	1510-21-0
PubChem CID	65082
IUPAC Name	4-[[(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 Formula	C31H50O4
Molecular Weight	486.7
XLogP	8.5
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	35
Formal Charge	0
Complexity	815

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

CAS: 1510-21-0

CID: 65082

Formula: C31H50O4

MW: 486.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	486.7
XLogP3	8.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	486.37091007
Monoisotopic Mass	486.37091007
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	815
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
14402-1	Stigmasteryl hemisuccinate
14401-5	β-Sitosteryl hemisuccinate
24817-50	Cholesteryl Nonanoate
24815-50	Cholesteryl Oleyl Carbonate
26436-50	Cholesterol
26436-1	Cholesterol
26436-250	Cholesterol
14526-1	BODIPY-Cholesterol
14543-25	Cholesterol -PEG 600
14536-1	8-dehydro cholesterol

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Catalog	Name
HY-W010800-01	Cholesteryl hemisuccinate
414882	CholesterylÂ Hemisuccinate
CEA60149	Cholesteryl hemisuccinate tris
900116	Cholesteryl Hemisuccinate (CHS)
HY-W010800R-01	Cholesteryl hemisuccinate (Standard)
JH918370	Cholesteryl Hemisuccinate Tris Salt
900116KH	Cholesteryl Hemisuccinate (CHS) -KLH

Cholesteryl hemisuccinate (CHEMS)

Chemical Information

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