| Identification | Back Directory | [Name]
(4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-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]
78919-26-3 | [Synonyms]
IsoUDCA
Ursodiol Impurity H
Isoursodeoxycholic acid
3β-Ursodeoxycholic Acid
3-epi-Ursodeoxycholic acid
Ursodeoxycholic Acid EP Impurity H
Cholan-24-oic acid,3,7-dihydroxy-, (3b,5b,7b)-
Ursodeoxycholic Acid EP Impurity H(Isoursodeoxycholic Acid)
Ursodeoxycholic Acid Impurity 8（Ursodeoxycholic Acid EP Impurity H）
Ursodeoxycholic Acid EP Impurity H/3β-Ursodeoxycholic Acid/Isoursodeoxycholic Acid/(3β,5β,7β)-3,7-Dihydroxycholan-24-oic Acid
(4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-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]
C24H40O4 | [MDL Number]
MFCD25563270 | [MOL File]
78919-26-3.mol | [Molecular Weight]
392.57 |
| Chemical Properties | Back Directory | [Melting point ]
184 - 186°C | [Boiling point ]
547.1±25.0 °C(Predicted) | [density ]
1.128±0.06 g/cm3(Predicted) | [storage temp. ]
Refrigerator | [solubility ]
DMSO (Slightly), Methanol (Slightly, Sonicated), Water (Slightly, Heated) | [form ]
Solid | [pka]
4.76±0.10(Predicted) | [color ]
White to Off-White | [InChIKey]
RUDATBOHQWOJDD-FJNRGYSSNA-N | [SMILES]
C(O)(=O)CC[C@H]([C@@H]1[C@@]2(C)CC[C@]3([H])[C@]4(C)CC[C@H](O)C[C@@]4([H])C[C@H](O)[C@]3([H])[C@]2([H])CC1)C |&1:5,6,7,11,13,17,20,23,25,27,r| |
| Hazard Information | Back Directory | [Chemical Properties]
White Solid | [Uses]
Isoursodeoxycholic acid is used as an anticholelithogenic.
| [Definition]
ChEBI: A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by beta-hydroxy groups at positions 3 and 7. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
(4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-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(78919-26-3)1HNMR
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