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Home Other Building Blocks Androstane-3,17-dione, (5β)-

Androstane-3,17-dione, (5β)-

CAS No.:
1229-12-5
Catalog Number:
AG000JRG
Molecular Formula:
C19H28O2
Molecular Weight:
288.4244
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Product Description
Catalog Number:
AG000JRG
Chemical Name:
Androstane-3,17-dione, (5β)-
CAS Number:
1229-12-5
Molecular Formula:
C19H28O2
Molecular Weight:
288.4244
MDL Number:
MFCD00021122
IUPAC Name:
(5R,8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
InChI:
InChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1
InChI Key:
RAJWOBJTTGJROA-QJISAEMRSA-N
SMILES:
O=C1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
UNII:
213MVW2TZD
Properties
Complexity:
496  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
288.209g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.431g/mol
Monoisotopic Mass:
288.209g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Closely related antibody receptors exploit fundamentally different strategies for steroid recognition. Proceedings of the National Academy of Sciences of the United States of America 20080819
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Increased 21-hydroxylase and shutdown of C(17,20) lyase activities in testicular tissues of the grouper (Epinephelus coioides) during 17alpha-methyltestosterone-induced sex inversion. General and comparative endocrinology 20020501
Molecular basis of crossreactivity and the limits of antibody-antigen complementarity. Nature 19931028
Properties