5β-Cholic acid may be utilized in the preparation /synthesis of 5β-cholic acid analogues.

Physicochemical Properties

Molecular Formula	C24H40O2
Molecular Weight	360.5732
Exact Mass	360.302
CAS #	546-18-9
PubChem CID	92803
Appearance	White to off-white solid powder
Density	1.0±0.1 g/cm3
Boiling Point	473.6±13.0 °C at 760 mmHg
Flash Point	208.7±11.2 °C
Vapour Pressure	0.0±2.5 mmHg at 25°C
Index of Refraction	1.514
LogP	8.75
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	26
Complexity	542
Defined Atom Stereocenter Count	8
SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C
InChi Key	RPKLZQLYODPWTM-LVVAJZGHSA-N
InChi Code	InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
Chemical Name	(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-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
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References	[1]. Improved oral delivery of insulin by PLGA nanoparticles coated with 5 β-cholanic acid conjugated glycol chitosan. Biomed Mater. 2021 Oct 12;16(6).
Additional Infomation	5beta-cholanic acid is a cholanic acid and a member of 5beta-cholanic acids.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~277.34 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.93 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.7734 mL	13.8669 mL	27.7339 mL
	5 mM	0.5547 mL	2.7734 mL	5.5468 mL
	10 mM	0.2773 mL	1.3867 mL	2.7734 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.