1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid is a triterpenoid extracted from the Agrimonia Pilosa plant and has antimalarial and antidiabetic activities.

Physicochemical Properties

Molecular Formula	C30H48O6
Molecular Weight	504.69852
Exact Mass	504.345
CAS #	113558-03-5
PubChem CID	69624177
Appearance	White to off-white solid powder
Density	1.2±0.1 g/cm3
Boiling Point	619.1±55.0 °C at 760 mmHg
Flash Point	342.2±28.0 °C
Vapour Pressure	0.0±4.1 mmHg at 25°C
Index of Refraction	1.591
LogP	5.27
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	36
Complexity	990
Defined Atom Stereocenter Count	12
SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4([C@@H]([C@H]([C@@H](C5(C)C)O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChi Key	VULLSLYDWNGNKZ-VVEUJWIUSA-N
InChi Code	InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1
Chemical Name	(1R,2R,4aS,6aS,6aS,6bR,8aS,10R,11S,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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]. The triterpenoids and sesquiterpenoids from the plant of Agrimonia pilosa. Fitoterapia. 2022 Mar;157:105104.
Additional Infomation	(1R,2R,4aS,6aS,6aS,6bR,8aS,10R,11S,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid has been reported in Agrimonia pilosa with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~99.07 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 1.25 mg/mL (2.48 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 1.25 mg/mL (2.48 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 12.5 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	1.9814 mL	9.9069 mL	19.8138 mL
	5 mM	0.3963 mL	1.9814 mL	3.9628 mL
	10 mM	0.1981 mL	0.9907 mL	1.9814 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.