| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 25mg | |||
| 50mg | |||
| Other Sizes |
| References | |
|---|---|
| Additional Infomation |
The compound was isolated from the ethanol extract of Ophiopogon japonicus roots. After partitioning with n-butanol, the butanol extract was subjected to column chromatography on silica gel using CHCl₃‑MeOH‑H₂O mixtures of increasing polarity, followed by TLC to yield compound 4 (9 mg). Acid hydrolysis (7% H₂SO₄, 90°C, 3 hr) of the glycoside gave glucose and rhamnose, identified by TLC and HPLC. The absolute configurations were determined as D‑glucose and L‑rhamnose based on the sign of optical rotation after semipreparative HPLC separation. The positive FAB mass spectrum showed pseudomolecular ions at m/z 793 [M+K]⁺ and 777 [M+Na]⁺, consistent with the molecular formula C₃₉H₆₂O₁₄. The disaccharide chain is α-L‑rhamnopyranosyl-(1→2)-β-D‑glucopyranoside attached to C‑3 of ophiogenin. [1]
|
| Molecular Formula |
C39H62O14
|
|---|---|
| Molecular Weight |
754.9012
|
| Exact Mass |
754.414
|
| CAS # |
128502-94-3
|
| PubChem CID |
145712300
|
| Appearance |
White to off-white solid
|
| Density |
1.41±0.1 g/cm3
|
| Boiling Point |
900.4±65.0 °C
|
| Source |
Originated from plants: Liliaceae Ophiopogon japonicus (L. f.) Ker-Gawl.
|
| LogP |
0.619
|
| Hydrogen Bond Donor Count |
8
|
| Hydrogen Bond Acceptor Count |
14
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
53
|
| Complexity |
1420
|
| Defined Atom Stereocenter Count |
20
|
| SMILES |
O1[C@]2(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])O2)[C@@]([H])(C([H])([H])[H])[C@]2([C@]1([H])C([H])([H])[C@]1([C@]3([H])C([H])([H])C([H])=C4C([H])([H])[C@]([H])(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[C@@]1([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])[H])O1)O[H])O[H])O[H])O[H])O[H]
|
| InChi Key |
DGFVATVOFRGGFO-IPRUERMDSA-N
|
| InChi Code |
InChI=1S/C39H62O14/c1-18-8-13-38(48-17-18)20(3)39(47)26(53-38)15-37(46)24-7-6-21-14-22(9-11-35(21,4)23(24)10-12-36(37,39)5)50-34-32(30(44)28(42)25(16-40)51-34)52-33-31(45)29(43)27(41)19(2)49-33/h6,18-20,22-34,40-47H,7-17H2,1-5H3/t18-,19+,20-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-,35+,36+,37-,38-,39-/m1/s1
|
| Chemical Name |
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(1R,2R,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-2,8-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
| 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: ≥ 50 mg/mL (~66.2 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (1.66 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 DMSO stock solution (12.5 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 | 1.3247 mL | 6.6234 mL | 13.2468 mL | |
| 5 mM | 0.2649 mL | 1.3247 mL | 2.6494 mL | |
| 10 mM | 0.1325 mL | 0.6623 mL | 1.3247 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
