Cas no 4368-11-0 ((8s,9s,10s,13r,14s,17s)-17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-3,11-dione)

(8s,9s,10s,13r,14s,17s)-17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-3,11-dione structure
4368-11-0 structure
Product Name:(8s,9s,10s,13r,14s,17s)-17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-3,11-dione
CAS No:4368-11-0
MF:C21H26O3
MW:326.429346561432
CID:1518005
PubChem ID:247932
Update Time:2025-04-21

(8s,9s,10s,13r,14s,17s)-17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-3,11-dione Chemical and Physical Properties

Names and Identifiers

    • (8S,9S,10S,13R,14S,17S)-17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
    • pregna-1,4-diene-3,11,20-trione
    • Pregna-1,4-dien-3,11,20-trion
    • 1-dehydro-11-oxoprogesterone
    • Pregn-1,4-diene-3,11,20-trione
    • DTXSID30963098
    • 1,4-pregnadien-3,11,20-trion
    • Pregna-1,11,20-trione
    • 4368-11-0
    • CHEMBL4296955
    • NSC63543
    • SCHEMBL524831
    • MLS002693438
    • NSC-63543
    • (8s,9s,10s,13r,14s,17s)-17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-3,11-dione
    • Inchi： 1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h8-10,15-17,19H,4-7,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1
    • InChI Key： YZZVVLUNOZJXCM-DADBAOPHSA-N
    • SMILES： O=C1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CCC3=CC(C=C[C@]3(C)[C@H]21)=O

Computed Properties

  • Exact Mass: 326.18800
  • Monoisotopic Mass: 326.18819469g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 700
  • 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: 2.6
  • Topological Polar Surface Area: 51.2?2

Experimental Properties

  • PSA: 51.21000
  • LogP: 3.67850

(8s,9s,10s,13r,14s,17s)-17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-3,11-dione Related Literature

4368-11-0 ((8s,9s,10s,13r,14s,17s)-17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-3,11-dione) Related Products

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