(3aR)-4,4a,7aα,8,9,9aα-Hexahydro-4α-(isobutyryloxy)-3β,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5(3H,3aαH)-dione
- Product Name(3aR)-4,4a,7aα,8,9,9aα-Hexahydro-4α-(isobutyryloxy)-3β,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5(3H,3aαH)-dione
- CAS34532-67-7
- MFC19H26O5
- MW334.41
- EINECS
- MOL File34532-67-7.mol
Chemical Properties
| Boiling point | 472.5±45.0 °C(Predicted) |
| Density | 1.16±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | water: slightly soluble |
| form | Solid |
| color | White to off-white |
| biological source | plant |
| Water Solubility | water: slightly soluble |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C19H26O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,9-13,15-16H,8H2,1-5H3/t10-,11+,12+,13-,15-,16+,19+/m1/s1 |
| InChIKey | WKUOPGZYLRFCHJ-APDQSUQKSA-N |
| SMILES | O1[C@H]2[C@H]([C@@H]([C@]3([C@H]([C@@H](C2)C)C=CC3=O)C)OC(=O)C(C)C)[C@@H](C1=O)C |
Safety Information
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Skin Sens. 1 |