Cas no 4008-83-7 ((6alpha)-6-methyl-16-methylidene-3,20-dioxopregn-4-en-17-yl acetate)

(6alpha)-6-methyl-16-methylidene-3,20-dioxopregn-4-en-17-yl acetate structure
4008-83-7 structure
Product Name:(6alpha)-6-methyl-16-methylidene-3,20-dioxopregn-4-en-17-yl acetate
CAS No:4008-83-7
MF:C25H34O4
MW:398.535068035126
CID:1512320
PubChem ID:199315
Update Time:2025-04-21

(6alpha)-6-methyl-16-methylidene-3,20-dioxopregn-4-en-17-yl acetate Chemical and Physical Properties

Names and Identifiers

    • (6alpha)-6-methyl-16-methylidene-3,20-dioxopregn-4-en-17-yl acetate
    • [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-16-methylidene-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl] acetate
    • Pregn-4-ene-3,20-dione, 17-hydroxy-6-alpha-methyl-16-methylene-, acetate
    • U-10343
    • Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-16-methylene-, (6-alpha)-
    • 17-Hydroxy-6-alpha-methyl-16-methylenepregn-4-ene-3,20-dione acetate
    • 6-Methyl-16-methylidene-3,20-dioxopregn-4-en-17-yl acetate
    • 17-Acetoxy-6-alpha-methyl-16-methylenepregn-4-ene-3,20-dione
    • 4008-83-7
    • DTXSID60960535
    • SCHEMBL4168651
    • Inchi： 1S/C25H34O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h13-14,19-20,22H,2,7-12H2,1,3-6H3/t14-,19+,20-,22-,23+,24-,25-/m0/s1
    • InChI Key： UHELYGIJWKJWLN-UZEUMTRXSA-N
    • SMILES： O(C(C)=O)[C@]1(C(C)=O)C(=C)C[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: 398.24582
  • Monoisotopic Mass: 398.24570956g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 3
  • Complexity: 838
  • 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: 3.8
  • Topological Polar Surface Area: 60.4?2

Experimental Properties

  • PSA: 60.44

(6alpha)-6-methyl-16-methylidene-3,20-dioxopregn-4-en-17-yl acetate Related Literature

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