Glycodehydrocholic acid

Catalog NumberBL-M000499
CAS Number3415-45-0
DescriptionGlycodehydrocholic acid is a glycine-conjugated form of the synthetic bile acid dehydrocholic acid.
IUPAC Name2-[[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
SynonymsDehydrocholylglycine; GDHCA; N-[(5β)-3,7,12,24-tetraoxocholan-24-yl]-glycine
Molecular Weight459.58
Molecular FormulaC26H37NO6
Boiling Point692.1±55.0 °C at 760 mmHg
Melting Point248°C
Purity>99%
Density1.202±0.06 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 67.95%, H 8.12%, N 3.05%, O 20.89%
Canonical SMILESCC(CCC(=O)NCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C
InChIInChI=1S/C26H37NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-15,17-19,24H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,17-,18+,19+,24+,25+,26-/m1/s1
InChI KeyZDPYMJNWJWJTAF-HHELISEZSA-N

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