Cas no 2561-01-5 (Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, (11b,16a)-)

Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, (11b,16a)- structure
2561-01-5 structure
Product Name:Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, (11b,16a)-
CAS No:2561-01-5
MF:C25H31FO9
MW:494.506652116776
CID:273391
PubChem ID:102284
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, (11b,16a)- Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, (11b,16a)-
    • 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-(hydrogen succinate); Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, (11beta,16alpha)-; 4-{[(11beta,16alpha)-9-fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoic acid; 4-[(9-fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid
    • 2561-01-5
    • EINECS 219-879-9
    • DTXSID00948478
    • 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-(hydrogen succinate)
    • Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, (11beta,16alpha)-
    • 4-[(9-fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid
    • Inchi： 1S/C25H31FO9/c1-22-8-7-14(27)9-13(22)3-4-15-16-10-17(28)25(34,23(16,2)11-18(29)24(15,22)26)19(30)12-35-21(33)6-5-20(31)32/h7-9,15-18,28-29,34H,3-6,10-12H2,1-2H3,(H,31,32)/t15-,16-,17+,18-,22-,23-,24-,25-/m0/s1
    • InChI Key： LANLTRZXAVUOPI-OKKOOQLDSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@H]([C@](C(COC(CCC(=O)O)=O)=O)([C@@]1(C)C[C@@H]2O)O)O)=O)C

Computed Properties

  • Exact Mass: 494.19521072g/mol
  • Monoisotopic Mass: 494.19521072g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 7
  • Complexity: 1040
  • 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: 0.6
  • Topological Polar Surface Area: 158?2

Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, (11b,16a)- Related Literature

2561-01-5 (Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, (11b,16a)-) Related Products

Recommended suppliers
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd