ω-Muricholic acid

Catalog NumberBL-M000479
CAS Number6830-03-1
Descriptionω-Muricholic acid is a member of the class of muricholic acids in which the hydroxy groups at positions 6 and 7 have alpha and beta configuration, respectively. ω-Muricholic acid is a murine-specific secondary bile acid. It is formed via enzymatic conversion of β-MCA by a variety of intestinal microorganisms, including Clostridium, in rat and mouse gut.
IUPAC Name(4R)-4-[(3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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
Synonymsomega-muricholic acid; omega-Muricholate; omega-MCA; (3α,5β,6α,7β)-3,6,7-trihydroxy-cholan-24-oic acid; 5β-Cholanic acid-3α,6α,7β-triol
Molecular Weight408.58
Molecular FormulaC24H40O5
Melting Point189-191°C
Purity>99%
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 70.55%, H 9.87%, O 19.58%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C
InChIInChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22-,23-,24-/m1/s1
InChI KeyDKPMWHFRUGMUKF-NTPBNISXSA-N

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