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ETIOCHOLANDIOL

CAS No.:
1851-23-6
Catalog Number:
AG00AB77
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00AB77
Chemical Name:
ETIOCHOLANDIOL
CAS Number:
1851-23-6
MDL Number:
MFCD00067602
IUPAC Name:
(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1
InChI Key:
CBMYJHIOYJEBSB-GCXXXECGSA-N
UNII:
D8A379RX68
Properties
Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
292.24g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
292.463g/mol
Monoisotopic Mass:
292.24g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Effects of propyphenazone and other non-steroidal anti-inflammatory agents on the synthetic and endogenous androgenic anabolic steroids urinary excretion and/or instrumental detection. Analytica chimica acta 20100104
Potent and selective steroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 7, an enzyme that catalyzes the reduction of the key hormones estrone and dihydrotestosterone. Journal of medicinal chemistry 20091210
Urinary and serum hormones profiles after testosterone enanthate administration in male hypogonadism: concerns on the detection of doping with testosterone in treated hypogonadal athletes. Journal of endocrinological investigation 20090501
Determination of 13C/12C ratios of endogenous urinary steroids: method validation, reference population and application to doping control purposes. Rapid communications in mass spectrometry : RCM 20080701
Factors influencing the steroid profile in doping control analysis. Journal of mass spectrometry : JMS 20080701
Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies. Journal of medicinal chemistry 20080327
Urinary analysis of 16(5alpha)-androsten-3alpha-ol by gas chromatography/combustion/isotope ratio mass spectrometry: implications in anti-doping analysis. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20041015
Androgen and estrogen metabolism during sex differentiation in mono-sex populations of the Nile tilapia, Oreochromis niloticus. General and comparative endocrinology 20020201
Properties