Home Other Building Blocks 16α-Butyloxyprednisolone (Budenoside IMpurity)

16α-Butyloxyprednisolone (Budenoside IMpurity)

CAS No.:
113930-13-5
Catalog Number:
AG008X3Z
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008X3Z
Chemical Name:
16α-Butyloxyprednisolone (Budenoside IMpurity)
CAS Number:
113930-13-5
MDL Number:
MFCD27967039
IUPAC Name:
[(8S,9S,10R,11S,13S,14S,16R,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] butanoate
InChI:
InChI=1S/C25H34O7/c1-4-5-21(30)32-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31)19(29)13-26/h8-10,16-18,20,22,26,28,31H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,22+,23-,24-,25+/m0/s1
InChI Key:
MNVQDRXNQLFAHB-OTUUEPHNSA-N
Properties
Complexity:
891  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
446.23g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
446.54g/mol
Monoisotopic Mass:
446.23g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties