Products for Research Use Only
RegisterLogin

Coprostanol

CAT: 0804-HY-118103-03Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-118103-03Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Coprostanol (Coprostan-3-ol) is a fecal sterol formed by microbial reduction of cholesterol in the intestines of man and higher animals. Coprostanol can be used as an indicator sterol of fecal pollution. Coprostanol has been recognized as a good indicator of pollution of water resources by sewage discharges[1][2].
CAS Number
360-68-9
Product Name Alternative
5β-Cholestan-3β-ol
UNSPSC
12352211
Hazard Statement
H301+H311+H331
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/coprostanol.html
Purity
99.1
Solubility
Ethanol : 20 mg/mL (ultrasonic; warming)
Smiles
CC(CCC[C@H]([C@H]1CC[C@]2([C@@]3(CC[C@@]4(C[C@H](CC[C@@]4([C@]3(CC[C@]12C)[H])C)O)[H])[H])[H])C)C
Molecular Formula
C27H48O
Molecular Weight
388.67
Precautions
H301+H311+H331
References & Citations
[1]Choi S M, et al. Studies of Coprostanol (5β-Cholestan-3β-ol) in Environmental Samples by Tandem Mass Spectrometry[J].Microchemical Journal, 1996, 53 (1) :54-64.|[2]Robert W. Walker, et al. Coprostanol as an indicator of fecal pollution. C R C Critical Reviews in Environmental Control. Volume 12, 1982 - Issue 2.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Microbial Metabolite

Chemical Information

Coprostanol

Coprostanol is a member of the class of phytosterols that is 5beta-cholestane carrying a hydroxy substituent at the 3beta-position. It has a role as a plant metabolite, an environmental contaminant and a human urinary metabolite. It is a member of phytosterols, a 3-hydroxy steroid and a cholestanoid. It derives from a hydride of a 5beta-cholestane.

CAS Number360-68-9
PubChem CID221122
IUPAC Name(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H48O
Molecular Weight388.7
XLogP9.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity540
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
QYIXCDOBOSTCEI-NWKZBHTNSA-N
Chemical Structure
2D Structure
2D structure of Coprostanol
CAS: 360-68-9
CID: 221122
Formula: C27H48O
MW: 388.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.7
XLogP39.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass388.370516150
Monoisotopic Mass388.370516150
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-W588187-01Coprostanone

Alternative Products

CatalogName
BA7667-5Coprostanol
AR-C07315-01Epi-Coprostanol

Popular Products