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CAS 99598-04-6

:

1β,3α,7α-Trihydroxy-5β-cholan-24-oic acid

Formula:C24H40O5
InChI:InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(8-9-23(16,17)2)24(3)14(11-19(22)26)10-15(25)12-20(24)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20-,22+,23-,24+/m1/s1
InChI key:InChIKey=GYUVAHWOVINGNE-RWXZXXAWSA-N
SMILES:O[C@H]1[C@@]2([C@@]([C@]3(C)[C@](C1)(C[C@H](O)C[C@H]3O)[H])(CC[C@@]4(C)[C@]2(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])[H])[H]
Synonyms:
  • 1β-Hydroxychenodeoxycholic acid
  • 1β,3α,7α-Trihydroxy-5β-cholan-24-oic acid
  • (1β,3α,5β,7α)-1,3,7-Trihydroxycholan-24-oic acid
  • Cholan-24-oic acid, 1,3,7-trihydroxy-, (1β,3α,5β,7α)-
  • 1β,3α,7α-Trihydroxy-5β-cholanoic acid
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