| Boiling point |
505.1±50.0 °C(Predicted) |
| Density |
1.131±0.06 g/cm3(Predicted) |
| storage temp. |
-20°C |
| solubility |
DMSO : 50 mg/mL (144.32 mM; Need ultrasonic) |
| form |
A solid |
| pka |
4.12±0.40(Predicted) |
| color |
White to yellow |
| Major Application |
metabolomics
vitamins, nutraceuticals, and natural products |
| InChI |
1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1 |
| InChIKey |
QQNSARJGBPMQDI-YCRPNKLZSA-N |
| SMILES |
COc1c(O)c2c(CC[C@H]3C(C)(C)CCC[C@]23C(O)=O)cc1C(C)C |
