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Glycocholic acid-[2,2,4,4-d4]

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Catalog NO.	BPG-3238
Product Name	Glycocholic acid-[2,2,4,4-d4]
CAS	1201918-15-1
Molecular Formula	C26H39D4NO6
Molecular Weight	469.65

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Description	Glycocholic acid-2,2,4,4-[d4] is the labelled analogue of Glycocholic Acid. Glycocholic Acid is a glycine conjugate of cholic acid that acts as a detergent to solubilize fats.
Synonyms	Glycocholic-2,2,4,4-d4 acid; N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-glycine; 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(carboxymethyl)amide-d4; N-Cholylglycine-d4; N-(3α,7α,12α-Trihydroxy-24-oxocholan-24-yl)-glycine-d4
IUPAC Name	2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Canonical SMILES	CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI	InChI=1S/C26H43NO6/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/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1/i8D2,10D2
InChIKey	RFDAIACWWDREDC-WZQUIQSLSA-N
Purity	≥ 98% (CP); ≥ 98% atom D
Related CAS	475-31-0 (unlabelled)
Shelf Life	1 Year
Storage	-20°C
Exact Mass	469.33
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 66.49%, H 10.09%, N 2.98%, O 20.44%

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