Cas no 113930-13-5 (16a-Butyloxyprednisolone(Budenoside Impurity))

16a-Butyloxyprednisolone(Budenoside Impurity) structure
113930-13-5 structure
Product Name:16a-Butyloxyprednisolone(Budenoside Impurity)
CAS No:113930-13-5
MF:C25H34O7
MW:446.533268451691
CID:1071430
PubChem ID:129318440
Update Time:2025-04-20

16a-Butyloxyprednisolone(Budenoside Impurity) Chemical and Physical Properties

Names and Identifiers

    • Imp. I (EP): 11 ,17,21-Trihydroxy-3,20-dioxopregna-1,4-dien-16 -yl Butanoate
    • 16α-Butyloxyprednisolone (Budenoside Impurity)
    • 16α-Butyloxyprednisolone (Budenoside Impurity)
    • Budesonide Impurity I
    • Budesonide EP Impurity I
    • Budenoside Impurity I(EP)
    • 16±-Butyloxyprednisolone\n(Budenoside Impurity)
    • 11β,17,21-trihydroxy-3,20-dioxopregna-1,4-dien-16α-yl butanoate
    • 11beta,17,21-Trihydroxy-3,20-dioxopregna-1,4-dien-16alpha-yl Butanoate
    • 16.ALPHA.-HYDROXYPREDNISOLONE 16-BUTYRATE
    • BUDESONIDE IMPURITY I [EP IMPURITY]
    • 16alpha-Butyloxyprednisolone(Budenoside Impurity)
    • [(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
    • Budesonide impurity I [EP]
    • (11.BETA.,16.ALPHA.)-11,17,21-TRIHYDROXY-16-(1-OXOBUTOXY)PREGNA-1,4-DIENE-3,20-DIONE
    • 11.BETA.,17,21-TRIHYDROXY-3,20-DIOXOPREGNA-1,4-DIEN-16.ALPHA.-YL BUTANOATE
    • (11beta,16alpha)-11,17,21-Trihydroxy-16-(1-oxobutoxy)pregna-1,4-diene-3,20-dione
    • PREGNA-1,4-DIENE-3,20-DIONE, 11,17,21-TRIHYDROXY-16-(1-OXOBUTOXY)-, (11.BETA.,16.ALPHA.)-
    • Y8WU33GU4G
    • UNII-Y8WU33GU4G
    • CHEMBL4525798
    • CID 129318440
    • 16alpha-(Butyryloxy)prednisolone
    • 16a-Butyloxyprednisolone(Budenoside Impurity)
    • Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-16-(1-oxobutoxy)-, (11beta,16alpha)-
    • 113930-13-5
    • 16alpha-Hydroxyprednisolone 16-butyrate
    • 16.ALPHA.-(BUTYRYLOXY)PREDNISOLONE
    • 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
    • SMILES： O[C@]1(C(CO)=O)[C@@H](C[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O)OC(CCC)=O

Computed Properties

  • Exact Mass: 446.23045342g/mol
  • 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: 6
  • Complexity: 891
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 121?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 617.9±55.0 °C at 760 mmHg
  • Flash Point: 206.4±25.0 °C
  • Vapor Pressure: 0.0±4.1 mmHg at 25°C

16a-Butyloxyprednisolone(Budenoside Impurity) Security Information

16a-Butyloxyprednisolone(Budenoside Impurity) Pricemore >>

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