2D Structure
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2D chemical structural formula diagram.
3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.
Check the
Valepotriate
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate | |
|---|---|---|
| CAS Number | 18296-44-1 | |
| Molecular Formula |
C22H30O8 |
|
| Molecular Weight (MW) | 422.47 | |
| SMILES | CC(C)CC(=O)OC1OC=C(COC(C)=O)C2=CC(OC(=O)CC(C)C)C3(CO3)C12 | |
| InChIKey | BDIAUFOIMFAIPU-KVJIRVJXSA-N |
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
10 mg/mL
(23.67 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 10 mg/mL |
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
- Preheat media/saline to 37°C.
- Mix rapidly (pipette/vortex) upon addition.
- For complex mixes, always add the aqueous phase last.
- Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
Note: Technical data last updated: Sep 1, 2026.