Cas no 89471-69-2 (Pregna-1,4-diene-3,20-dione, 11.β.,17,21-trihydroxy-, 21-cyclopentanecarboxylate)

Pregna-1,4-diene-3,20-dione, 11.β.,17,21-trihydroxy-, 21-cyclopentanecarboxylate structure
89471-69-2 structure
Product Name:Pregna-1,4-diene-3,20-dione, 11.β.,17,21-trihydroxy-, 21-cyclopentanecarboxylate
CAS No:89471-69-2
MF:C27H36O6
MW:456.571148872375
CID:993755
PubChem ID:225479
Update Time:2025-04-20

Pregna-1,4-diene-3,20-dione, 11.β.,17,21-trihydroxy-, 21-cyclopentanecarboxylate Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione, 11.β.,17,21-trihydroxy-, 21-cyclopentanecarboxylate
    • 89471-69-2
    • Prednisolone, 21-cyclopentanecarboxylate
    • Pregna-1,20-dione, 11.beta.,17,21-trihydroxy-, 21-cyclopentanecarboxylate
    • U 7084
    • NSC-14955
    • NSC14955
    • Inchi： 1S/C27H36O6/c1-25-11-9-18(28)13-17(25)7-8-19-20-10-12-27(32,26(20,2)14-21(29)23(19)25)22(30)15-33-24(31)16-5-3-4-6-16/h9,11,13,16,19-21,23,29,32H,3-8,10,12,14-15H2,1-2H3/t19-,20-,21-,23+,25-,26-,27-/m0/s1
    • InChI Key： HZNGFAATLNQRBS-KJKDQFDUSA-N
    • SMILES： O[C@]1(C(COC(C2CCCC2)=O)=O)CC[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O

Computed Properties

  • Exact Mass: 456.25100
  • Monoisotopic Mass: 456.251
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 5
  • Complexity: 929
  • 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
  • XLogP3: 3.9
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.27
  • Boiling Point: 631.2°C at 760 mmHg
  • Flash Point: 209.3°C
  • Refractive Index: 1.592
  • PSA: 100.90000
  • LogP: 3.29870

Pregna-1,4-diene-3,20-dione, 11.β.,17,21-trihydroxy-, 21-cyclopentanecarboxylate Related Literature

89471-69-2 (Pregna-1,4-diene-3,20-dione, 11.β.,17,21-trihydroxy-, 21-cyclopentanecarboxylate) Related Products

Recommended suppliers
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd