Cas no 1255-80-7 (Pregna-1,4-diene-2-carboxaldehyde,21-(acetyloxy)-11,17-dihydroxy-3,20-dioxo-, (11b)- (9CI))

Pregna-1,4-diene-2-carboxaldehyde,21-(acetyloxy)-11,17-dihydroxy-3,20-dioxo-, (11b)- (9CI) structure
1255-80-7 structure
Product Name:Pregna-1,4-diene-2-carboxaldehyde,21-(acetyloxy)-11,17-dihydroxy-3,20-dioxo-, (11b)- (9CI)
CAS No:1255-80-7
MF:C24H30O7
MW:430.490808010101
CID:180694
PubChem ID:133082524
Update Time:2025-04-19

Pregna-1,4-diene-2-carboxaldehyde,21-(acetyloxy)-11,17-dihydroxy-3,20-dioxo-, (11b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-2-carboxaldehyde,21-(acetyloxy)-11,17-dihydroxy-3,20-dioxo-, (11b)- (9CI)
    • CMZ0U6X7YZ
    • 2-FORMYL-PREDNISOLONE-21-ACETATE
    • Pregna-1,4-diene-2-carboxaldehyde, 11beta,17,21-trihydroxy-3,20-dioxo-, 21-acetate
    • UNII-CMZ0U6X7YZ
    • PREGNA-1,4-DIENE-2-CARBOXALDEHYDE, 21-(ACETYLOXY)-11,17-DIHYDROXY-3,20-DIOXO-, (11.BETA.)-
    • 1255-80-7
    • PREGNA-1,4-DIENE-2-CARBOXALDEHYDE, 11.BETA.,17,21-TRIHYDROXY-3,20-DIOXO-, 21-ACETATE
    • Pregna-1,4-diene-2-carboxaldehyde, 21-(acetyloxy)-11,17-dihydroxy-3,20-dioxo-, (11beta)-
    • Inchi： 1S/C24H30O7/c1-13(26)31-12-20(29)24(30)7-6-17-16-5-4-15-8-18(27)14(11-25)9-22(15,2)21(16)19(28)10-23(17,24)3/h8-9,11,16-17,19,21,28,30H,4-7,10,12H2,1-3H3/t16-,17-,19-,21+,22-,23-,24-/m0/s1
    • InChI Key： YMMGFKYMLAMPKX-DOUOKARYSA-N
    • SMILES： O[C@]1(C(COC(C)=O)=O)CC[C@H]2[C@@H]3CCC4=CC(C(C=O)=C[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O

Computed Properties

  • Exact Mass: 430.1992
  • Monoisotopic Mass: 430.199153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 5
  • Complexity: 917
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 118

Experimental Properties

  • Density: 1.32
  • Boiling Point: 640.1°Cat760mmHg
  • Flash Point: 218.7°C
  • Refractive Index: 1.589
  • PSA: 117.97

Pregna-1,4-diene-2-carboxaldehyde,21-(acetyloxy)-11,17-dihydroxy-3,20-dioxo-, (11b)- (9CI) Related Literature

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