Cas no 24869-41-8 (Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11,17-dihydroxy-, (11b)- (9CI))

Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11,17-dihydroxy-, (11b)- (9CI) structure
24869-41-8 structure
Product Name:Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11,17-dihydroxy-, (11b)- (9CI)
CAS No:24869-41-8
MF:C26H38O6
MW:446.576328754425
CID:266180
PubChem ID:21116701
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11,17-dihydroxy-, (11b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11,17-dihydroxy-, (11b)- (9CI)
    • [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
    • 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-pivalate
    • Cortisol,21-pivalate (6CI,7CI,8CI)
    • EINECS 246-508-8
    • Pivalic acid,21-ester with cortisol (8CI)
    • NS00027758
    • 24869-41-8
    • DTXSID90179577
    • SCHEMBL11092225
    • Inchi： 1S/C26H38O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1
    • InChI Key： AQJJGJDBTXHKCP-XDANTLIUSA-N
    • SMILES： O[C@]1(C(COC(C(C)(C)C)=O)=O)CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O

Computed Properties

  • Exact Mass: 446.26700
  • Monoisotopic Mass: 446.26683893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 5
  • Complexity: 868
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 101?2
  • Surface Charge: 0
  • Tautomer Count: 10
  • XLogP3: nothing

Experimental Properties

  • PSA: 100.90000
  • LogP: 3.37860

Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11,17-dihydroxy-, (11b)- (9CI) Related Literature

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