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Home Halogens Androst-4-en-3-one, 17-(acetyloxy)-4-chloro-, (17b)-

Androst-4-en-3-one, 17-(acetyloxy)-4-chloro-, (17b)-

CAS No.:
855-19-6
Catalog Number:
AG00IDOQ
Molecular Formula:
C21H29ClO3
Molecular Weight:
364.9062
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Product Description
Catalog Number:
AG00IDOQ
Chemical Name:
Androst-4-en-3-one, 17-(acetyloxy)-4-chloro-, (17b)-
CAS Number:
855-19-6
Molecular Formula:
C21H29ClO3
Molecular Weight:
364.9062
IUPAC Name:
[(8R,9S,10R,13S,14S,17S)-4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
InChI:
InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1
InChI Key:
XYGMEFJSKQEBTO-KUJXMBTLSA-N
SMILES:
CC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C(C(=O)CC[C@]12C)Cl
EC Number:
212-720-4
UNII:
780ZZX4P14
NSC Number:
72159
Properties
Complexity:
654  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
364.181g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.91g/mol
Monoisotopic Mass:
364.181g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
In vitro metabolic studies using homogenized horse liver in place of horse liver microsomes. Drug testing and analysis 20110601
Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues. Bioorganic & medicinal chemistry 20080615
Metabolic studies of turinabol in horses. Analytica chimica acta 20070314
Transformations of steroid esters by Fusarium culmorum. Zeitschrift fur Naturforschung. C, Journal of biosciences 20060101
Influence of Helix pomatia enzyme preparations on the oxidative conversion of some clostebol acetate metabolites in urine. Journal of analytical toxicology 20020301
Properties