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7α-Hydroxy-3-oxocholan-24-oic-2,2,4,4-[d4] Acid

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General Information
Catalog: BLP-009644
CAS: 99102-72-4
Molecular Formula: C24H34D4O4
Molecular Weight: 394.59

Chemical Structure

Synonyms	7a-Hydroxy-3-oxo Cholan-24-oic-2,2,4,4-D4 acid; 7alpha-Hydroxy-3-oxo Cholan-24-oic-2,2,4,4-D4 acid
IUPAC Name	(4R)-4-[(7R,10S,13R,17R)-2,2,4,4-tetradeuterio-7-hydroxy-10,13-dimethyl-3-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(=O)C4)C)O)C
InChI	InChI=1S/C24H38O4/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/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15?,17-,18?,19?,20-,22?,23+,24-/m1/s1/i8D2,12D2
InChI Key	KNVADAPHVNKTEP-MRAKCJDDSA-N
Purity	> 95%