Cas no 51333-05-2 (21-Acetoxy-11b-hydroxy-16a,17a-propylmethylenedioxpregna-1,4-diene-3,20-dione)

21-Acetoxy-11b-hydroxy-16a,17a-propylmethylenedioxpregna-1,4-diene-3,20-dione is a synthetic steroid derivative characterized by its unique structural modifications, including a 21-acetoxy group, 11b-hydroxyl group, and a 16a,17a-propylmethylenedioxy ring. These modifications enhance its stability and biological activity, making it a compound of interest in pharmaceutical research, particularly for its potential anti-inflammatory and immunosuppressive properties. The presence of the 1,4-diene-3-one moiety in ring A contributes to its glucocorticoid receptor affinity. Its well-defined molecular structure allows for precise study of structure-activity relationships in steroid chemistry. The compound is typically utilized in controlled laboratory settings for pharmacological investigations due to its specialized applications.
21-Acetoxy-11b-hydroxy-16a,17a-propylmethylenedioxpregna-1,4-diene-3,20-dione structure
51333-05-2 structure
Product Name:21-Acetoxy-11b-hydroxy-16a,17a-propylmethylenedioxpregna-1,4-diene-3,20-dione
CAS No:51333-05-2
MF:C27H36O7
MW:472.57054901123
CID:826024
PubChem ID:13298228
Update Time:2025-06-07

21-Acetoxy-11b-hydroxy-16a,17a-propylmethylenedioxpregna-1,4-diene-3,20-dione Chemical and Physical Properties

Names and Identifiers

    • 21-Acetoxy-11β-hydroxy-16α,17α-propylmethylenedioxpregna-1,4-diene-3,20-dione
    • 21-ACETOXY-11B-HYDROXY-16A,17A-PROPYLMETHYLENEDIOXPREGNA-1,4-DIENE-3,20-DIONE
    • Budesonide 21-acetate
    • 21-Acetoxy-11
    • A,17
    • A-hydroxy-16
    • A-propylmethylenedioxpregna-1,4-diene-3,20-dione
    • 51333-05-2
    • UNII-4AZ2VA5QDS
    • (11.BETA.,16.ALPHA.)-21-(ACETYLOXY)-16,17-(BUTYLIDENEBIS(OXY))-11-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE
    • 16?,17-[(1RS)-Butylidenebis(oxy)]-11?,21-dihydroxypregna-1,4-diene-3,20-dione 21-Acetate
    • (11beta,16alpha)-21-(Acetyloxy)-16,17-(butylidenebis(oxy))-11-hydroxypregna-1,4-diene-3,20-dione
    • (11ss,16a)-21-(Acetyloxy)-16,17-[butylidenebis(oxy)]-11-hydroxy-pregna-1,4-diene-3,20-dione; 21-(Acetoxy)-16a,17a-(butylidenedioxy)-11ss-hydroxypregna-1,4-diene-3,20-dione; 16a,17-[(1RS)-Butylidenebis(oxy)]-11ss,21-dihydroxypregna-1,4-diene-3,20-dione 21-Acetate; Budesonide Imp. K (EP)
    • Budesonide impurity K [EP]
    • 21-(Acetoxy)-16alpha,17alpha-(butylidenedioxy)-11beta-hydroxypregna-1,4-diene-3,20-dione
    • 4AZ2VA5QDS
    • 16.ALPHA.,17-((1RS)-BUTYLIDENEBIS(OXY))-11.BETA.,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE-21-ACETATE
    • 2-[(4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate
    • BUDESONIDE 21-ACETATE (EPIMERS) [USP IMPURITY]
    • SCHEMBL7735898
    • [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
    • BUDESONIDE IMPURITY K [EP IMPURITY]
    • DTXSID70535536
    • 21-Acetoxy-11 beta -hydroxy-16 alpha ,17 alpha -propylmethylenedioxpregna-1,4-diene-3,20-dione
    • 16alpha,17-((1RS)-Butylidenebis(oxy))-11beta,21-dihydroxypregna-1,4-diene-3,20-dione-21-acetate
    • 21-(ACETOXY)-16.ALPHA.,17.ALPHA.-(BUTYLIDENEDIOXY)-11.BETA.-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE
    • 21-Acetoxy-11beta-hydroxy-16alpha,17alpha-propylmethylenedioxpregna-1,4-diene-3,20-dione
    • 21-Acetoxy-11?-hydroxy-16?,17?-propylmethylenedioxpregna-1,4-diene-3,20-dione
    • (11b,16a)-21-(Acetyloxy)-16,17-[butylidenebis(oxy)]-11-hydroxy-pregna-1,4-diene-3,20-dione
    • 21-Acetoxy-11b-hydroxy-16a,17a-propylmethylenedioxpregna-1,4-diene-3,20-dione
    • 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
    • SMILES： O1C(CCC)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(C=C[C@]5(C)[C@H]4[C@H](C[C@]3(C)[C@]12C(COC(C)=O)=O)O)=O

Computed Properties

  • Exact Mass: 472.24600
  • Monoisotopic Mass: 472.24610348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 6
  • Complexity: 968
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 99.1?2

Experimental Properties

  • Melting Point: NA
  • Boiling Point: NA
  • PSA: 99.13000
  • LogP: 3.28760

21-Acetoxy-11b-hydroxy-16a,17a-propylmethylenedioxpregna-1,4-diene-3,20-dione Security Information

21-Acetoxy-11b-hydroxy-16a,17a-propylmethylenedioxpregna-1,4-diene-3,20-dione Pricemore >>

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