Cholic acid

Catalog NumberBL-M000468
CAS Number81-25-4
DescriptionCholic acid could inhibit the activity of cardiac myocytes by causing calcium overload, thereby leading to the sudden fetal death in ICP.
IUPAC Name(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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
SynonymsColalin; Cholalic acid; cholate; Cholalin; Cholsaeure; 5β-cholanic acid-3α,7α,12α-triol
Molecular Weight408.58
Molecular FormulaC24H40O5
Boiling Point583.9°C at 760 mmHg
Melting Point200-201°C (lit.)
Purity>98%
Density1.2 g/cm3
SolubilitySoluble in alcohols, acetone, DMSO, methanol, and water (slightly).
AppearanceWhite or off-white powder
Applicationhypotensive
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 70.55%, H 9.87%, O 19.58%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChIInChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/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 KeyBHQCQFFYRZLCQQ-OELDTZBJSA-N

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