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(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CC(O)C4(C)C3CCC12C

• 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