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Ursodeoxycholic Acid Methyl Ester - 97%, high purity , CAS No.10538-55-3

COA

Grade & Purity:

≥97%

Cas Number: 10538-55-3
Molecular Weight: 406.6
PubChem CID: 9801465

In stock

Item Number

U336195

Grouped product items
SKU	Size	Availability	Price
U336195-250mg	250mg	2	$45.90
U336195-1g	1g	2	$105.90
U336195-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$313.90
U336195-10g	10g	1	$465.90

a precursor to manufacture Ursodeoxycholic acid

Basic Description

Synonyms	3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid Methyl ester \| methyl (4R)-4-[(3R,5S,7S,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]pentanoate \| CHEBI:181120 \| DTXS
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Ursodeoxycholic Acid Methyl Ester is a precursor to manufacture Ursodeoxycholic acid, which is useful in cholesterol gallstone dissolution, and as a fish growth promoter.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Bile acids, alcohols and derivatives
      - Level5 Hydroxy bile acids, alcohols and derivatives
        Level6 Dihydroxy bile acids, alcohols and derivatives

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Bile acids, alcohols and derivatives
Intermediate Tree Nodes	Hydroxy bile acids, alcohols and derivatives
Direct Parent	Dihydroxy bile acids, alcohols and derivatives
Alternative Parents	7-alpha-hydroxysteroids 3-alpha-hydroxysteroids Fatty acid methyl esters Methyl esters Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Dihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 7-hydroxysteroid - 7-alpha-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Cyclic alcohol - Methyl ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	methyl (4R)-4-[(3R,5S,7S,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]pentanoate
INCHI	InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1
InChIKey	GRQROVWZGGDYSW-ZQMFMVRBSA-N
Smiles	CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
Isomeric SMILES	C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
PubChem CID	9801465
Molecular Weight	406.6

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
E2420422	Certificate of Analysis	Feb 19, 2024	U336195
E2420427	Certificate of Analysis	Feb 19, 2024	U336195
E2420431	Certificate of Analysis	Feb 19, 2024	U336195
E2420432	Certificate of Analysis	Feb 19, 2024	U336195
E2420444	Certificate of Analysis	Feb 19, 2024	U336195
E2420451	Certificate of Analysis	Feb 19, 2024	U336195
E2420471	Certificate of Analysis	Feb 19, 2024	U336195
E2420476	Certificate of Analysis	Feb 19, 2024	U336195

Chemical and Physical Properties

Solubility	Soluble in Acetone, Chloroform and Methanol
Melt Point(°C)	142-143° C
Molecular Weight	406.600 g/mol
XLogP3	5.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	406.308 Da
Monoisotopic Mass	406.308 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	620.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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