Cas no 3852-34-4 (14,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate)

14,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate structure
3852-34-4 structure
Product Name:14,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate
CAS No:3852-34-4
MF:C23H32O6
MW:404.496587753296
CID:923609
PubChem ID:222815
Update Time:2025-04-19

14,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate Chemical and Physical Properties

Names and Identifiers

    • 14,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate
    • [2-[(8R,9S,10R,13S,14R,17R)-14,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    • AC1L5C3M
    • AC1Q62N4
    • AG-K-31967
    • AR-1C0799
    • CTK4I0115
    • NSC9742
    • Reichsteins Substanz S-14-hydroxyl-acetat
    • DTXSID40278741
    • SCHEMBL11234623
    • NSC-9742
    • 3852-34-4
    • Inchi： 1S/C23H32O6/c1-14(24)29-13-19(26)23(28)11-10-22(27)18-5-4-15-12-16(25)6-8-20(15,2)17(18)7-9-21(22,23)3/h12,17-18,27-28H,4-11,13H2,1-3H3/t17-,18+,20-,21-,22+,23-/m0/s1
    • InChI Key： YMEARCSRSRFMKW-RODBXUTMSA-N
    • SMILES： O[C@@]12CC[C@](C(COC(C)=O)=O)([C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(C=C3CC[C@@H]21)=O)O

Computed Properties

  • Exact Mass: 404.21996
  • Monoisotopic Mass: 404.21988874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 801
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 100.9
  • LogP: 2.49650

14,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate Related Literature

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