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CS-W001157 4
Total: USD 88.00

Dehydrocholic acid

  • CAS No. 81-23-2

  • Cat. No. CS-4902
  • Purity≥95%
  • MDL No.MFCD00066410

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

Dehydrocholic acid|CS-4902

Structure of 81-23-2

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General Information

  • CAS No. 81-23-2
  • Cat. No. CS-4902
  • Purity ≥95%
  • MDL No. MFCD00066410
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₄H₃₄O₅
  • Molecular Weight 402.52
  • Synonym(s) Dehydrocholate
  • SMILES C[C@H](CCC(O)=O)[C@H]([C@]12C)CC[C@@]1([H])[C@]3([H])C(C[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])CC2=O)=O)=O

Application

Dehydrocholic acid serves as a versatile bile acid scaffold for synthetic modification, enabling access to functionalized steroidal intermediates. Its conjugated enone system facilitates Michael additions and selective reductions, while the C-7 ketone and C-12 hydroxyl groups offer orthogonal handles for derivatization. The compound exhibits bench stability and compatibility with standard protecting group strategies, making it a practical building block for steroid-based medicinal chemistry and chiral synthesis workflows.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   88.51
  • LogP   4.0733
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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