7-Ketolithocholic acid
CAS Registry Number®
4651-67-6
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CAS Name
7-Ketolithocholic acidMolecular Formula
C24H38O4Molecular Mass
390.56Cite this Page
7-Ketolithocholic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4651-67-6 (retrieved ) (CAS RN: 4651-67-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
202-203 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C24H38O4/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/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1
InChIKey
InChIKey=DXOCDBGWDZAYRQ-AURDAFMXSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3=O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3α,5β)-
- 5β-Cholan-24-oic acid, 3α-hydroxy-7-oxo-
- 5β-Cholanic acid, 3α-hydroxy-7-oxo-
- (3α,5β)-3-Hydroxy-7-oxocholan-24-oic acid
- 3α-Hydroxy-7-oxo-5β-cholanoic acid
Deleted or Replaced CAS Registry Numbers
98646-38-9
