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Sodium glycodeoxycholate
Catalog NumberACM16409340-1
CAS Number16409-34-0
CategorySterols
Synonyms
Glycodeoxycholic acid sodium salt; N-(3α,12α-Dihydroxy-24-oxocholan-24-yl)glycine
IUPAC Name
Sodium;2-[[(4R)-4-[(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]pentanoyl]amino]acetate
Molecular Weight
471.61
Molecular Formula
C26H42NNaO5
SMILES
CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]
InChI
InChI=1S/C26H43NO5.Na/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3;/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-;/m1./s1
InChI Key
IIYSTUUVIASHBG-YEUHZSMFSA-N
Melting Point
245-250 °C
Purity
97%
Solubility
0.1 M (in water at 20 °C), clear, colorless
Appearance
White solid
Storage
Solid
Exact Mass
472.30389275
Physical State
Solid
Subcategory
Cholesterols
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