| Synonyms |
CAESALMIN E;204185-91-1;[(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-5,6-diacetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate;CHEMBL517323;HY-N2982;AKOS032949103;DA-51529;CS-0023633; |
| IUPAC Name |
[(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-5,6-diacetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate |
| Molecular Weight |
219.24 |
| Molecular Formula |
C12H13NO3 |
| Canonical SMILES |
C1CC(=O)N2C1C3=CC(=C(C=C3CC2)O)O |
| InChI |
InChI=1S/C26H36O9/c1-13(27)33-19-8-10-23(4,5)26(31)22(35-15(3)29)21(34-14(2)28)20-17(24(19,26)6)12-18-16(9-11-32-18)25(20,7)30/h9,11,17,19-22,30-31H,8,10,12H2,1-7H3/t17-,19-,20-,21+,22-,24-,25+,26+/m0/s1 |
| InChIKey |
ZMDJQZBKCANBDV-GZEDFXFRSA-N |
| Purity |
>95% |
| Density |
1.3±0.1 g/cm3 |
| Appearance |
Powder |
| Storage |
Please store the product under the recommended conditions in the Certificate of Analysis. |
![{PARAM:[Name]}()](https://resource.bocsci.com/structure/204185-91-12d.gif)
