Cas no 3386-03-6 (Pregn-4-ene-3,20-dione,21-(acetyloxy)-17-hydroxy-6-methyl-, (6a)- (9CI))

Pregn-4-ene-3,20-dione,21-(acetyloxy)-17-hydroxy-6-methyl-, (6a)- (9CI) structure
3386-03-6 structure
Product Name:Pregn-4-ene-3,20-dione,21-(acetyloxy)-17-hydroxy-6-methyl-, (6a)- (9CI)
CAS No:3386-03-6
MF:C24H34O5
MW:402.523767948151
CID:305476
PubChem ID:160686
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,21-(acetyloxy)-17-hydroxy-6-methyl-, (6a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,21-(acetyloxy)-17-hydroxy-6-methyl-, (6a)- (9CI)
    • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-
    • [2-[(6S,8R,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    • 3386-03-6
    • 17-Hydroxy-6-methyl-3,20-dioxopregn-4-en-21-yl acetate
    • 6alpha-Methyl-17alpha-hydroxy-11-deoxy-corticosterone-21-acetate
    • Mhdcc-21
    • SCHEMBL11122920
    • DTXSID80955448
    • Inchi： 1S/C24H34O5/c1-14-11-17-18(22(3)8-5-16(26)12-20(14)22)6-9-23(4)19(17)7-10-24(23,28)21(27)13-29-15(2)25/h12,14,17-19,28H,5-11,13H2,1-4H3/t14-,17+,18-,19-,22+,23-,24-/m0/s1
    • InChI Key： NTEWNLYJODFHQS-USTFCYDESA-N
    • SMILES： O[C@]1(C(COC(C)=O)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 402.24072
  • 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: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 80.7?2

Experimental Properties

  • PSA: 80.67

Pregn-4-ene-3,20-dione,21-(acetyloxy)-17-hydroxy-6-methyl-, (6a)- (9CI) Related Literature

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