SMILES:
CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
Chemical Structure
Check the
MC903 (Calcipotriene)
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | |
|---|---|---|
| CAS Number | 112965-21-6 | |
| Molecular Formula |
C27H40O3 |
|
| Molecular Weight (MW) | 412.60 | |
| SMILES | CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C | |
| InChIKey | LWQQLNNNIPYSNX-UROSTWAQSA-N |
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
83 mg/mL
(201.16 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 83 mg/mL |
| Water | Insoluble |
| DMSO |
83 mg/mL
(201.16 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 83 mg/mL |
| Water | Insoluble |
| DMSO |
82 mg/mL
(198.73 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 82 mg/mL |
| Water | Insoluble |
| DMSO |
82 mg/mL
(198.73 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 82 mg/mL |
| Water | Insoluble |
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.