Agnuside
Request a quote| Catalog Number | ACM11027637 |
| Product Name | Agnuside |
| CAS Number | 11027-63-7 |
| Structure |  |
| IUPAC Name | [(1S,4aR,5S,7aS)-5-Hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate |
| Synonyms | Vitex oil |
| Molecular Weight | 466.4 |
| Molecular Formula | C22H26O11 |
| Canonical SMILES | C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O |
| Inchi | InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1 |
| InChIKey | GLACGTLACKLUJX-QNAXTHAFSA-N |
| Boiling Point | 785.5±60.0 °C |
| Melting Point | 146 °C |
| Purity | 95% |
| Density | 1.59±0.1 g/cm³ |
| Physical State | Liquid |
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