Alloisolithocholic acid

Catalog NumberBL-M000464
CAS Number2276-93-9
DescriptionAlloisolithocholic acid is a steroid compound used for treatment of inflammatory or autoimmune disorders.
IUPAC Name(4R)-4-[(3S,5S,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
Synonyms5α-cholanic acid-3β-ol; (3β,5α)-3-Hydroxycholan-24-oic Acid; 3β-Hydroxy-5α-cholanic Acid; 3beta-Hydroxy-5alpha-cholan-24-oic Acid; NSC 18169; (R)-4-((3S,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic Acid; Isoallolithocholic acid
Molecular Weight376.57
Molecular FormulaC24H40O3
Boiling Point511.0±23.0°C at 760 mmHg
Purity>99%
Density1.1±0.1 g/cm3
SolubilitySoluble in Chloroform, DMF, Methanol
AppearanceWhite Solid
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 76.55%, H 10.71%, O 12.75%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
InChIInChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChI KeySMEROWZSTRWXGI-XBESLWPFSA-N

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