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7511-52-6

7511-52-6 | 9-chloro-17-hydroxy-17-methylandrost-4-ene-3,11-dione

CAS No: 7511-52-6 Catalog No: AG0056LE MDL No:

Product Description

Catalog Number:
AG0056LE
Chemical Name:
9-chloro-17-hydroxy-17-methylandrost-4-ene-3,11-dione
CAS Number:
7511-52-6
Molecular Formula:
C20H27ClO3
Molecular Weight:
350.8796
IUPAC Name:
9-chloro-17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
InChI:
InChI=1S/C20H27ClO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-15,24H,4-9,11H2,1-3H3
InChI Key:
XRYZUTZZFFLDKN-UHFFFAOYSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@]2(Cl)C(=O)C[C@]2([C@H]1CCC2(C)O)C)C
NSC Number:
30933

Properties

Complexity:
670  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.165g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
350.883g/mol
Monoisotopic Mass:
350.165g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
6  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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