Cas no 426-43-7 (Pregn-4-ene-3,20-dione,17,21-dihydroxy-16-methyl-, 21-acetate, (16a)- (9CI))

Pregn-4-ene-3,20-dione,17,21-dihydroxy-16-methyl-, 21-acetate, (16a)- (9CI) structure
426-43-7 structure
Product Name:Pregn-4-ene-3,20-dione,17,21-dihydroxy-16-methyl-, 21-acetate, (16a)- (9CI)
CAS No:426-43-7
MF:C24H34O5
MW:402.523767948151
CID:324855
PubChem ID:13873650
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,17,21-dihydroxy-16-methyl-, 21-acetate, (16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,17,21-dihydroxy-16-methyl-, 21-acetate, (16a)- (9CI)
    • [2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    • Corticosterone,11-deoxy-17-hydroxy-16a-methyl-, 21-acetate (6CI)
    • Pregn-4-ene-3,20-dione, 17,21-dihydroxy-16a-methyl-, 21-acetate (7CI,8CI)
    • 21-Acetyloxy-17-hydroxy-16-methylpregn-4-ene-3,20-dione
    • 426-43-7
    • DTXSID00551663
    • SCHEMBL11109164
    • 17-Hydroxy-16-methyl-3,20-dioxopregn-4-en-21-yl acetate
    • Inchi： 1S/C24H34O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h12,14,18-20,28H,5-11,13H2,1-4H3/t14?,18-,19+,20+,22+,23+,24+/m1/s1
    • InChI Key： DQKKCXRBJSXYJD-IANBGGIASA-N
    • SMILES： O[C@]1(C(COC(C)=O)=O)C(C)C[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 402.24062418g/mol
  • Monoisotopic Mass: 402.24062418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 784
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 10
  • XLogP3: nothing
  • Topological Polar Surface Area: 80.7?2

Pregn-4-ene-3,20-dione,17,21-dihydroxy-16-methyl-, 21-acetate, (16a)- (9CI) Related Literature

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