Home Halogens (11b,17a)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-Androsta-1,4-diene-17-carboxylic acid chloromethyl ester

(11b,17a)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-Androsta-1,4-diene-17-carboxylic acid chloromethyl ester

CAS No.:
82034-46-6
Catalog Number:
AG0036GU
Molecular Formula:
C24H31ClO7
Molecular Weight:
466.9517
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$58
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10mg
98%(HPLC)
In Stock USA
United States
$89
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25mg
98%(HPLC)
In Stock USA
United States
$155
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50mg
98%(HPLC)
In Stock USA
United States
$283
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100mg
98%(HPLC)
In Stock USA
United States
$450
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Product Description
Catalog Number:
AG0036GU
Chemical Name:
(11b,17a)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-Androsta-1,4-diene-17-carboxylic acid chloromethyl ester
CAS Number:
82034-46-6
Molecular Formula:
C24H31ClO7
Molecular Weight:
466.9517
MDL Number:
MFCD00870765
IUPAC Name:
chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
InChI:
InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1
InChI Key:
DMKSVUSAATWOCU-HROMYWEYSA-N
SMILES:
ClCOC(=O)[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)OC(=O)OCC
UNII:
YEH1EZ96K6
Properties
Complexity:
882  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
466.176g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
466.955g/mol
Monoisotopic Mass:
466.176g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
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