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| IUPAC Name: | butyl (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate |
| Description: | (3R,4S,5R)-Butyl 3,4,5-Trihydroxycyclohex-1-enecarboxylate is a shikimic acid derivative fom Schisandra chinensis. |
| Molecular Weight: | 230.26 |
| Molecular Formula: | C11H18O5 |
| Canonical SMILES: | CCCCOC(=O)C1=CC(C(C(C1)O)O)O |
| InChI: | InChI=1S/C11H18O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5,8-10,12-14H,2-4,6H2,1H3/t8-,9-,10-/m1/s1 |
| InChI Key: | ICPXYBVKOQHAOL-OPRDCNLKSA-N |
| Melting Point: | 75-78°C |
| Solubility: | DMSO (Slightly), Methanol (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | 4°C, Inert atmosphere |
| References: | Chen, J., et. al. Planta Medica, 77, 485 (2011). |
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