Cas no 3811-03-8 ((8r,9s,10r,13s,14s,17r)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione)

(8r,9s,10r,13s,14s,17r)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione structure
3811-03-8 structure
Product Name:(8r,9s,10r,13s,14s,17r)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CAS No:3811-03-8
MF:C22H28O3
MW:340.455926895142
CID:1487852
PubChem ID:248591
Update Time:2025-04-21

(8r,9s,10r,13s,14s,17r)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione Chemical and Physical Properties

Names and Identifiers

    • (8r,9s,10r,13s,14s,17r)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
    • KST-1A0289
    • AR-1A7240
    • (8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(4'h,6h)-dione
    • C15090
    • CTK4H9333
    • AC1L6MNN
    • NSC65899
    • NSC70590
    • KST-1A0289; AR-1A7240; (8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(4'h,6h)-dione; C15090; CTK4H9333; AC1L6MNN; NSC65899; NSC70590;
    • NSC-65899
    • NSC-70590
    • 17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone
    • Q27148731
    • CHEBI:79609
    • 3811-03-8
    • DTXSID90289963
    • Inchi： 1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h5,9,13,16-18H,3-4,6-8,10-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
    • InChI Key： XFDFDWJXWMKQGW-WNHSNXHDSA-N
    • SMILES： O1C(CC[C@]21CC[C@H]1[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3CC[C@@]12C)=O)=O

Computed Properties

  • Exact Mass: 340.20394
  • Monoisotopic Mass: 340.20384475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 0
  • Complexity: 719
  • 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: 3.2
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37
  • LogP: 4.37010

(8r,9s,10r,13s,14s,17r)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione Related Literature

3811-03-8 ((8r,9s,10r,13s,14s,17r)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione) Related Products

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