For research use only. Not for therapeutic Use.
| Catalog Number | M129542 |
| CAS Number | 135074-86-1 |
| Synonyms | DIDEMETHYLSIMMONDSIN, 4,5-(P) |
| Molecular Formula | C14H21NO9 |
| Purity | ≥95% |
| Storage | -20°C |
| IUPAC Name | (2Z)-2-[(2S,3S,4S,6R)-2,3,4-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile |
| InChI | InChI=1S/C14H21NO9/c15-2-1-5-7(3-6(17)10(19)9(5)18)23-14-13(22)12(21)11(20)8(4-16)24-14/h1,6-14,16-22H,3-4H2/b5-1+/t6-,7+,8+,9-,10-,11+,12-,13+,14+/m0/s1 |
| InChIKey | MRQYIJOEUFLPMV-ADMGTIFDSA-N |
| SMILES | C1C(C(C(C(=CC#N)C1OC2C(C(C(C(O2)CO)O)O)O)O)O)O |
