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Deoxycholic Acid-[d5]

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General Information
Catalog: BLP-010756
CAS: 52840-14-9
Molecular Formula: C24H35D5O4
Molecular Weight: 397.60

Chemical Structure

Description	Deoxycholic Acid-[d5] is the labelled analogue of Deoxycholic Acid, which is a cholic acid derivative used as a component in cell lysis buffers.
Synonyms	Deoxycholic Acid D5; 3α,12α-Dihydroxy-5β-cholanoic Acid-d5; 3α,12α-Dihydroxycholanic Acid-d5; 5β-Cholanic Acid-3α,12α-diol-d5; 5β-Deoxycholic Acid-d5; 7-Deoxycholic Acid-d5; Cholerebic-d5; Cholorebic-d5; Degalol-d5; Deoxycholatic Acid-d5; Desoxycholic Acid-d5; Droxolan-d5; NSC 8797-d5; Pyrochol-d5; Septochol-d5
IUPAC Name	(4R)-4-[(3R,5R,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,12-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Related CAS	83-44-3 (unlabelled)
Isomeric SMILES	[2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])CCC3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)C)([2H])[2H])O
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
InChI	InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17?,18-,19+,20?,21+,23+,24-/m1/s1/i10D2,12D2,16D
InChI Key	KXGVEGMKQFWNSR-JTHHUVBGSA-N
Melting Point	>95°C (dec.)
Purity	97%; ≥97% atom D
Solubility	Slightly soluble in DMSO, Ethanol, Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C