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

Datasheet MSDS
Catalog Number
ALP0028
Product Name
7α-Hydroxy-3-oxocholan-24-oic-2,2,4,4-[d4] Acid
Structure
7α-Hydroxy-3-oxocholan-24-oic-2,2,4,4-[d4] Acid
CAS Number
99102-72-4
IUPAC Name
(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,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
Synonyms
7a-Hydroxy-3-oxoCholan-24-oic-2,2,4,4-D4acid; 7alpha-Hydroxy-3-oxoCholan-24-oic-2,2,4,4-D4acid
Molecular Formula
C24H34D4O4
Molecular Weight
394.59
Purity
>95%
SMILES
[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C(C1=O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)[2H]
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-VVEWKFGQSA-N
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