Nordeoxycholic acid

Catalog NumberBL-M000483
CAS Number53608-86-9
DescriptionNordeoxycholic acid is a derivative of Deoxycholic acid (DC) where the bile acid nor-DC showed considerable and continuing efflux into the perfusate.
IUPAC Name(3R)-3-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]butanoic acid
SynonymsNor-Desoxycholic Acid; 23-Nordeoxycholic acid; 23-Nor-DCA; 23-Nor-5beta-cholanic acid, 3alpha, 12alpha diol
Molecular Weight378.55
Molecular FormulaC23H38O4
Boiling Point536.7°C at 760 mmHg
Melting Point185-188°C
Purity>99%
Density1.142 g/cm3
SolubilitySoluble in Acetone, Dichloromethane and Ethanol
AppearanceWhite Crystalline Solid
ApplicationA derivative of Deoxycholic acid (DC); the bile acid
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 72.98%, H 10.12%, O 16.91%
Canonical SMILESCC(CC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
InChIInChI=1S/C23H38O4/c1-13(10-21(26)27)17-6-7-18-16-5-4-14-11-15(24)8-9-22(14,2)19(16)12-20(25)23(17,18)3/h13-20,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17-,18+,19+,20+,22+,23-/m1/s1
InChI KeyPLRQOCVIINWCFA-AHFDLSHQSA-N

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