MedKoo Cat#: 126172 | Name: 12-keto Chenodeoxycholic Acid
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

12-keto Chenodeoxycholic acid (12-keto CDCA) is an intermediate in the semisynthetic synthesis of ursodeoxycholic acid and chenodeoxycholic acid from the primary bile acid cholic acid.

Chemical Structure

12-keto Chenodeoxycholic Acid
12-keto Chenodeoxycholic Acid
CAS#2458-08-4

Theoretical Analysis

MedKoo Cat#: 126172

Name: 12-keto Chenodeoxycholic Acid

CAS#: 2458-08-4

Chemical Formula: C24H38O5

Exact Mass: 406.2719

Molecular Weight: 406.56

Elemental Analysis: C, 70.90; H, 9.42; O, 19.68

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
10mg USD 750.00 2 Weeks
25mg USD 1,250.00 2 Weeks
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Related CAS #
No Data
Synonym
12-keto CDCA; 12-oxo CDCA; 12-oxo Chenodeoxycholic Acid; 3α,7α-Dihydroxy-12-keto-5β-cholanic acid
IUPAC/Chemical Name
(R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
InChi Key
MIHNUBCEFJLAGN-DMMBONCOSA-N
InChi Code
InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1
SMILES Code
[H][C@@]12CC[C@@]([C@@H](CCC(O)=O)C)([H])[C@]1(C(C[C@]3([C@]2([C@@H](C[C@]4([C@@]3(CC[C@H](C4)O)C)[H])O)[H])[H])=O)C
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 406.56 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL