Account Methyl 4-O-feruloylquinate
- Catalog No. :
- ACPOFT845
- CAS No. :
- 195723-10-5
- Molecular Formula :
- C18H22O9
- Molecular Weight :
- 382.36
IUPAC Name:methyl (1S,3R,4S,5R)-1,3,5-trihydroxy-4-(((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylate
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Product Information
| Product Name | Methyl 4-O-feruloylquinate |
|---|---|
| IUPAC Name | methyl (1S,3R,4S,5R)-1,3,5-trihydroxy-4-(((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylate |
| MDL No. | MFCD28100362 |
| Molecular Formula | C18H22O9 |
| Molecular Weight | 382.36 |
| SMILES | COC1=CC(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)OC)C[C@H]2O)=CC=C1O |
| InChI Key | SSSAJVICHISXEW-JWCXHHFISA-N |
| Synonym | Methyl 4-O-feruloylquinate;(1alpha,3R,4alpha,5R)-1,3,5-Trihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid methyl ester;Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, methyl ester, (1α,3R,4α,5R)-;4-O-Feruloylquinicacidmethylester |
| CAS No. | 195723-10-5 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACPOFT845 Molecular Building Block Synthetic Route
(1S,3R,4S,5R)-1,3,5-Trihydroxy-4-((3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid
(1S,3R,4R,5R)-Methyl 1,3,4-trihydroxy-5-(((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexanecarboxylate
(1R,3R,4S,5R)-Methyl 1,3,4-trihydroxy-5-(((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexanecarboxylate