Lithocholic acid

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For Research Use Only | Not For Clinical Use
CATAPS434139
CAS434-13-9
Structure
MDL NumberMFCD00003682
Synonyms3α-Hydroxy-5β-cholan-24-oate, 3α-Hydroxy-5β-cholanic acid, 17β-(1-Methyl-3-carboxypropyl)etiocholan-3α-ol, 3α-Hydroxy-5β-cholanoic acid, Lithocholic acid, 3α-Hydroxycholanic acid,(3α,5β)-3-Hydroxycholan-24-oic acid, NSC 683770, 3-Hydroxycholan-24-oic acid, 3α-Hydroxy-5β-cholan-24-oic acid
IUPAC Name(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 Weight376.57
Molecular FormulaC24H40O3
EC Number207-099-1
Canonical SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChI KeySMEROWZSTRWXGI-HVATVPOCSA-N
REAXYS Number3217757
Description≥95%
Accurate Mass376.2977
API FamilyMatrix - API Family See respective official monograph(s)
Assay≥95%
FormatNeat
MP183-188 °C (lit.)
Product TypeAPI
Size10G, 25G
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CATSizeShippingStorage ConditionsDescription
APS434139-25MG 25MG Room Temperature 2-8°C Fridge/Coldroom Subcategory: British Pharmacopoeia Inquiry
APS434139-60MG 60MG Room Temperature 2-8°C Fridge/Coldroom Subcategory: European Pharmacopoeia (Ph. Eur.) Inquiry
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