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CAS 128-13-2: Ursodeoxycholic acid

Formula:C24H40O4
InChI:InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
InChI key:InChIKey=RUDATBOHQWOJDD-UZVSRGJWSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Synonyms:
  • (3α,5β,7β)-3,7-Dihydroxycholan-24-oic acid
  • 17β-(1-Methyl-3-carboxypropyl)etiocholane-3α,7β-diol
  • 3α,7β-Dihydroxy-5β-cholan-24-oate
  • 3α,7β-Dihydroxy-5β-cholan-24-oic acid
  • 3α,7β-Dihydroxy-5β-cholanic acid
  • 3α,7β-Dihydroxy-5β-cholanoic acid
  • 3α,7β-Dihydroxycholanic acid
  • 5β-Cholan-24-oic acid, 3α,7β-dihydroxy-
  • 5β-Cholanic acid, 3α,7β-dihydroxy-
  • 7β-Hydroxylithocholic acid
  • Acide Ursodesoxycholique
  • See more synonyms
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