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Budesonide 21-acetate

CAS No.:
51333-05-2
Catalog Number:
AG00DDCE
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DDCE
Chemical Name:
Budesonide 21-acetate
CAS Number:
51333-05-2
MDL Number:
MFCD09839820
IUPAC Name:
[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate
InChI:
InChI=1S/C27H36O7/c1-5-6-23-33-22-12-19-18-8-7-16-11-17(29)9-10-25(16,3)24(18)20(30)13-26(19,4)27(22,34-23)21(31)14-32-15(2)28/h9-11,18-20,22-24,30H,5-8,12-14H2,1-4H3/t18-,19-,20-,22+,23?,24+,25-,26-,27+/m0/s1
InChI Key:
QZIYSFVNRMBENV-PONRWWDOSA-N
Properties
Complexity:
968  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
472.246g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
472.578g/mol
Monoisotopic Mass:
472.246g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties