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Chenodeoxycholic acid

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For Research Use Only | Not For Clinical Use
CATAPS474259
CAS474-25-9
Structure
MDL NumberMFCD00064142
SynonymsChenodeoxycholic acid, 3α,7α-dihydroxy-5β-cholan-24-oic acid
IUPAC Name(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Weight392.57
Molecular FormulaC24H40O4
EC Number200-659-6
Canonical SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=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
InChI KeyRUDATBOHQWOJDD-BSWAIDMHSA-N
REAXYS Number3219887
Description500 μg/mL in methanol, certified reference material
Accurate Mass392.2927
API FamilyMatrix - API Family See respective official monograph(s)
FormatNeat
Gradecertified reference material
MP165-167 °C (lit.)
Product TypeAPI
Size1ML
Storage Conditions−20°C
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CATSizeShippingStorage ConditionsDescription
APS474259-25MG 25MG Room Temperature 2-8°C Fridge/Coldroom Subcategory: British Pharmacopoeia Inquiry
APS474259-125MG 125MG Room Temperature 2-8°C Fridge/Coldroom Subcategory: European Pharmacopoeia (Ph. Eur.) Inquiry
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