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CS-W001157 4
Total: USD 88.00

(2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate

  • CAS No. 95716-70-4

  • Cat. No. CS-0158286
  • Molecule weight398.49
  • Purity≥98%
  • MDL No.MFCD01244531

*For research and further manufacturing use only, not for direct human use.

(2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate|CS-0158286

Structure of 95716-70-4

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General Information

  • CAS No. 95716-70-4
  • Cat. No. CS-0158286
  • Purity ≥98%
  • MDL No. MFCD01244531
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₄H₃₀O₅
  • Molecular Weight 398.49
  • Synonym(s) Δ9,11-Eplerenone
  • SMILES C[C@@]12CCC(=O)C=C2C[C@H]([C@@H]3C1=CC[C@@]4(C)[C@H]3CC[C@]54CCC(=O)O5)C(=O)OC

Synthesis

  • Route1

    References

    • G.D. SEARLE and CO. Patent: EP1223174 A2, 2002 ; Location in patent: Example 36A ;
  • Route2
    • null|null
      77-78-1
    • Eplerenone Impurity 12|CS-1005445
      95716-74-8
    • ~%
    • In-stock
      (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate|CS-0158286
      95716-70-4

    References

    • Pearlman, Bruce A.; Padilla, Amphlett G.; Hach, John T.; Havens, Jeffrey L.; Pillai, Muniraj D. Organic Letters, 2006 , vol. 8, # 10 p. 2111 - 2113
  • Route3
    • Eplerenone Impurity 12|CS-1005445
      95716-74-8
    • ~%
    • In-stock
      (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate|CS-0158286
      95716-70-4

    References

    • US2003/232981 A1, ; Page 54-55 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.67
  • LogP   3.9133
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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