| Identification | Back Directory | [Name]
(4R)-4-[(3S,5R,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 | [CAS]
1534-35-6 | [Synonyms]
isoLCA
solithocholic acid
5β-CHOLANIC ACID-3β-OL
Isolithocholic acid (ILCA)
(3β,5β)-3-Hydroxycholan-24-oic acid
Cholan-24-oic acid, 3-hydroxy-, (3β,5β)-
Isolithocholic acid (β-Lithocholic acid)
(3beta,5beta)-3-Hydroxycholan-24-oic Acid
(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-[(3S,5R,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 | [Molecular Formula]
C24H40O3 | [MOL File]
1534-35-6.mol | [Molecular Weight]
376.57 |
| Chemical Properties | Back Directory | [Melting point ]
90-95 °C | [Boiling point ]
511.0±23.0 °C(Predicted) | [density ]
1.073±0.06 g/cm3(Predicted) | [storage temp. ]
Refrigerator | [solubility ]
Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
4.76±0.10(Predicted) | [color ]
White to Off-White | [InChIKey]
SMEROWZSTRWXGI-WFVDQZAMSA-N | [SMILES]
[H][C@@]12[C@]([C@](CC[C@H](O)C3)(C)[C@]3([H])CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O |
| Hazard Information | Back Directory | [Uses]
(3β,5β)-3-Hydroxycholan-24-oic acid has been used for the study of the activation of β1 subunit-?containing BK channels with respect to the structure of monohydroxylated bile acids. | [Definition]
ChEBI: A monohydroxy-5beta-cholanic acid with a beta-hydroxy substituent at position 3. The 3beta-hydroxy epimer of lithocholic acid. | [in vivo]
The levels of fecal Isolithocholic acid shows obvious decreases from day 28 onward in the high fat diet (HFD) group compared with rats fed a normal diet[4]. | [IC 50]
Microbial Metabolite |
| Spectrum Detail | Back Directory | [Spectrum Detail]
(4R)-4-[(3S,5R,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(1534-35-6)1HNMR
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