Cas no 577777-51-6 (6a-Hydroxy Budesonide)

6a-Hydroxy Budesonide structure
6a-Hydroxy Budesonide structure
Product Name:6a-Hydroxy Budesonide
CAS No:577777-51-6
MF:C25H34O7
MW:446.533268451691
CID:826248
PubChem ID:45039413
Update Time:2025-04-19

6a-Hydroxy Budesonide Chemical and Physical Properties

Names and Identifiers

    • 6α-Hydroxy Budesonide
    • 6A-HYDROXYBUDESONIDE
    • 6alpha-Hydroxy Budesonide
    • (1S,2S,4R,8S,9S,11S,12S,13R,19S)-11,19-dihydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
    • DTXSID60662007
    • 6 alpha -Hydroxy Budesonide
    • UNII-FS0TQI5AVI
    • Pregna-1,4-diene-3,20-dione, 16,17-(butylidenebis(oxy))-6,11,21-trihydroxy-, (6alpha,11beta,16alpha)-
    • (4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-5,12-Dihydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
    • 6alpha-Hydroxybudesonide
    • Q27278161
    • FS0TQI5AVI
    • (6alpha,11beta,16alpha)-16,17-[Butylidenebis(oxy)]-6,11,21-trihydroxypregna-1,4-diene-3,20-dione
    • PREGNA-1,4-DIENE-3,20-DIONE, 16,17-(BUTYLIDENEBIS(OXY))-6,11,21-TRIHYDROXY-, (6.ALPHA.,11.BETA.,16.ALPHA.)-
    • 577777-51-6
    • 6.ALPHA.-HYDROXYBUDESONIDE
    • 6a-Hydroxy Budesonide
    • Inchi： 1S/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
    • InChI Key： JBVVDXJXIDYDMF-HLQSUVNBSA-N
    • SMILES： O1C(CCC)O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(C=C[C@]5(C)[C@H]4[C@H](C[C@]3(C)[C@]12C(CO)=O)O)=O)O

Computed Properties

  • Exact Mass: 446.23000
  • Monoisotopic Mass: 446.23045342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 4
  • Complexity: 895
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 113?2

Experimental Properties

  • PSA: 113.29000
  • LogP: 1.68760

6a-Hydroxy Budesonide Pricemore >>

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