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Ursodeoxycholic acid-[d4]

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Category	Standards
Catalog NO.	BPG-3135
Product Name	Ursodeoxycholic acid-[d4]
CAS	347841-46-7
Molecular Formula	C24H36D4O4
Molecular Weight	396.60

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Description	Ursodeoxycholic acid-d4 (UDCA-d4) is a labelled UDCA. UDCA-d4 is intended for use as an internal standard for the quantification of UDCA by GC- or LC-MS.
Synonyms	(3α,5β,7β)-3,7-Dihydroxy-cholan-24-oic-2,2,4,4,-d4; Ursodeoxycholic-2,2,4,4-d4 acid; Ursodeoxycholic acid-2,2,4,4-d4
IUPAC Name	(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
InChI	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1/i8D2,12D2
InChIKey	RUDATBOHQWOJDD-QGCKUCIHSA-N
Melting Point	196-200°C
Purity	≥98% (CP); ≥98% atom D
Solubility	Soluble in Ethanol, Methanol
Related CAS	128-13-2 (unlabelled)
Appearance	White to Off-white Solid
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	396.32
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 72.68%, H 11.18%, O 16.14%

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