Cas no 66877-67-6 (11beta-hydroxy-D-homopregna-1,4-diene-3,20-dione 17a-butyrate)

11beta-hydroxy-D-homopregna-1,4-diene-3,20-dione 17a-butyrate structure
66877-67-6 structure
Product Name:11beta-hydroxy-D-homopregna-1,4-diene-3,20-dione 17a-butyrate
CAS No:66877-67-6
MF:C26H36O5
MW:428.56104850769
CID:964821
PubChem ID:68868
Update Time:2025-04-19

11beta-hydroxy-D-homopregna-1,4-diene-3,20-dione 17a-butyrate Chemical and Physical Properties

Names and Identifiers

    • 11beta-hydroxy-D-homopregna-1,4-diene-3,20-dione 17a-butyrate
    • Domoprednate
    • UNII-910G0QIM2M
    • Dromoprednate
    • NS00122418
    • CHEMBL2106538
    • Ddomoprednato
    • DOMOPREDNATE [MART.]
    • Q27271358
    • EINECS 266-506-0
    • 11.BETA.,17A-DIHYDROXY-D-HOMOPREGNA-1,4-DIENE-3,20-DIONE 17A-BUTYRATE
    • 11beta,17a-Dihydroxy-D-homopregna-1,4-diene-3,20-dione 17a-butyrate
    • Domoprednate [INN]
    • RO 12-7024
    • Domoprednatum [INN-Latin]
    • 910G0QIM2M
    • DTXSID801024405
    • Ddomoprednato [INN-Spanish]
    • AKOS040751631
    • [(1R,4aS,4bS,10aR,10bS,11S,12aS)-1-acetyl-11-hydroxy-10a,12a-dimethyl-8-oxo-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-yl] butanoate
    • Ro-12-7024
    • Domoprednatum
    • 66877-67-6
    • SCHEMBL144482
    • Inchi： 1S/C26H36O5/c1-5-7-22(30)31-26(16(2)27)12-6-8-20-19-10-9-17-14-18(28)11-13-24(17,3)23(19)21(29)15-25(20,26)4/h11,13-14,19-21,23,29H,5-10,12,15H2,1-4H3/t19-,20-,21-,23+,24-,25-,26-/m0/s1
    • InChI Key： IYBYNRHXGXDDDS-VRRJBYJJSA-N
    • SMILES： O(C(CCC)=O)[C@]1(C(C)=O)CCC[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: 428.25600
  • Monoisotopic Mass: 428.25627424g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 5
  • Complexity: 856
  • 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: 4.6
  • Topological Polar Surface Area: 80.7?2

Experimental Properties

  • PSA: 80.67000
  • LogP: 4.32630

11beta-hydroxy-D-homopregna-1,4-diene-3,20-dione 17a-butyrate Related Literature

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