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Allolithocholic acid

Allolithocholic acid

  • CAT Number: M008538
  • CAS Number: 2276-94-0
  • Molecular Formula: C24H40O3
  • Molecular Weight: 376.581
  • Purity: ≥95%
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<span style="font-size:12px;"><span style="font-family:arial,helvetica,sans-serif;">Allolithocholic acid (CAS&nbsp;2276-94-0)&nbsp;<span style="color: rgb(56, 56, 56);">is used as steroid compound as T regulatory lymphocyte modulators and uses for treatment of inflammatory or autoimmune disorders.</span></span></span>

Catalog Number M008538
CAS Number 2276-94-0
Molecular Formula

C24H40O3

Purity 95%
IUPAC Name (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey SMEROWZSTRWXGI-NWFSOSCSSA-N
SMILES CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
Reference

1.Littman, D. R., et al.: PCT Int. Appl. 160pp. (2020)

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