483-14-7
| Name | rotundine |
| CAS | 483-14-7 |
| Molecular Formula | C21H25NO4 |
| MDL Number | MFCD03265591 |
| Molecular Weight | 355.43 |
| MOL File | 483-14-7.mol |
Chemical Properties
| Melting point | 141-143°C |
| Boiling point | 482.9±45.0 °C(Predicted) |
| density | 1.23±0.1 g/cm3(Predicted) |
| storage temp. | Refrigerator |
| solubility | insoluble in H2O; ≥16 mg/mL in DMSO; ≥2.95 mg/mL in EtOH with gentle warming and ultrasonic |
| form | powder to crystal |
| pka | 6.53±0.20(Predicted) |
| color | White to Light yellow |
| λmax | 280nm(lit.) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| Cosmetics Ingredients Functions | SKIN CONDITIONING - MISCELLANEOUS HAIR CONDITIONING |
| InChI | 1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1 |
| InChIKey | AEQDJSLRWYMAQI-KRWDZBQOSA-N |
| SMILES | COC1=CC=C2C(CN(CCC3=C4C=C(OC)C(OC)=C3)[C@@]4([H])C2)=C1OC |
| CAS DataBase Reference | 483-14-7 |