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CS-W001157 4
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3-Oxo-5β-cholanoic acid

  • CAS No. 1553-56-6

  • Cat. No. CS-0099396
  • Molecule weight374.56
  • Purity≥98%
  • MDL No.MFCD00046265

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

3-Oxo-5β-cholanoic acid|CS-0099396

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General Information

  • CAS No. 1553-56-6
  • Cat. No. CS-0099396
  • Purity ≥98%
  • MDL No. MFCD00046265
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₄H₃₈O₃
  • Molecular Weight 374.56
  • Synonym(s) Dehydrolithocholic acid; 3-oxoLCA
  • SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O

Synthesis

  • Route1

    References

    • Nahar, Lutfun; Turner, Alan B. Journal of Chemical Research, 2004 , # 5 p. 329 - 332
  • Route2
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    • In-stock
      3-Oxo-5β-cholanoic acid|CS-0099396
      1553-56-6

    References

    • Faarup, Peter Patent: US2002/183531 A1, 2002 ;
  • Route3

    References

    • Yang, Jerry; Gabriele, Bartolo; Belvedere, Sandro; Huang, Ying; Breslow, Ronald The Journal of organic chemistry, 2002 , vol. 67, # 15 p. 5057 - 5067

Safety Information

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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

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   5.7153
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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