Product Code

TRC-U850052

CAS Number

93701-19-0

Product Format

Neat

Molecular Formula

C25H37D5O4

Molecular Weight

411.63

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Alternate CAS Number

10538-55-3

Unlabelled CAS Number

10538-55-3

Price and availability

48-hour USA dispatch time

Freight restricted.

If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.

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Product Information

Chemical Data

Analyte Name

Ursodeoxycholic Acid-d5 Methyl Ester

CAS Number

93701-19-0

Molecular Formula

C25H37D5O4

Molecular Weight

411.63

Accurate Mass

411.3397

SMILES

[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@@H](O)C[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(=O)OC

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/i9D2,13D2,17D

IUPAC

methyl (4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Alternate CAS Number

10538-55-3

Unlabelled CAS Number

10538-55-3

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

A precursor to manufacture UDCA (Ursodeoxycholic acid) which is useful for cholesterol gallstone dissolution and fish growth promoter.

References: Parks, D., et al.: Science, 284, 1365

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