Physicochemical Properties
Molecular Formula | C29H34O16 |
Molecular Weight | 638.57 |
Exact Mass | 638.184 |
CAS # | 20188-85-6 |
PubChem CID | 10100634 |
Appearance | White to light yellow solid powder |
Density | 1.7±0.1 g/cm3 |
Boiling Point | 947.6±65.0 °C at 760 mmHg |
Flash Point | 308.6±27.8 °C |
Vapour Pressure | 0.0±0.3 mmHg at 25°C |
Index of Refraction | 1.697 |
LogP | 2.17 |
Hydrogen Bond Donor Count | 8 |
Hydrogen Bond Acceptor Count | 16 |
Rotatable Bond Count | 8 |
Heavy Atom Count | 45 |
Complexity | 1060 |
Defined Atom Stereocenter Count | 10 |
SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O |
InChi Key | VVSFMIXQNYRGMG-BDAFLREQSA-N |
InChi Code | InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1 |
Chemical Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
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]. Isolation, Identification and Antimicrobial Activity of Ombuoside From Stevia Triflora. Ann Pharm Fr. 1997;55(6):262-8. [2]. Ombuoside From Gynostemma Pentaphyllum Protects PC12 Cells From L-DOPA-Induced Neurotoxicity.Planta Med. |
Additional Infomation | Ombuoside has been reported in Kaempferia parviflora, Gynostemma pentaphyllum, and Bryobium eriaeoides with data available. |
Solubility Data
Solubility (In Vitro) | DMSO : 50 mg/mL (78.30 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (1.96 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 1.5660 mL | 7.8300 mL | 15.6600 mL | |
5 mM | 0.3132 mL | 1.5660 mL | 3.1320 mL | |
10 mM | 0.1566 mL | 0.7830 mL | 1.5660 mL |