Home Other Building Blocks NOR-DESOXYCHOLIC ACID

NOR-DESOXYCHOLIC ACID

CAS No.:
53608-86-9
Catalog Number:
AG00D9S7
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00D9S7
Chemical Name:
NOR-DESOXYCHOLIC ACID
CAS Number:
53608-86-9
MDL Number:
MFCD00076043
IUPAC Name:
(3R)-3-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
InChI:
InChI=1S/C23H38O4/c1-13(10-21(26)27)17-6-7-18-16-5-4-14-11-15(24)8-9-22(14,2)19(16)12-20(25)23(17,18)3/h13-20,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17-,18+,19+,20+,22+,23-/m1/s1
InChI Key:
PLRQOCVIINWCFA-AHFDLSHQSA-N
Properties
Complexity:
591  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
378.277g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
378.553g/mol
Monoisotopic Mass:
378.277g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Importance of using highly pure internal standards for successful liquid chromatography/tandem mass spectrometric bioanalytical assays. Rapid communications in mass spectrometry : RCM 20090501
High-performance liquid chromatographic mass spectrometric method for the determination of ursodeoxycholic acid and its glycine and taurine conjugates in human plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20031225
Properties