Account Methyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
- Catalog No. :
- ACENFD356
- CAS No. :
- 123483-19-2
- Molecular Formula :
- C17H20O9
- Molecular Weight :
- 368.34
IUPAC Name:methyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
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Product Information
| Product Name | Methyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate |
|---|---|
| IUPAC Name | methyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate |
| Molecular Formula | C17H20O9 |
| Molecular Weight | 368.34 |
| SMILES | O=C([C@@]1(O)C[C@@H](OC(/C=C/C2=CC=C(O)C(O)=C2)=O)[C@H](O)[C@H](O)C1)OC |
| InChI Key | MZNIJRAPCCELQX-AWOKGZDASA-N |
| Synonym | 3-O-Caffeoylquinic acid methyl ester;Chlorogenic acid methylester;(E)-Chlorogenic acid methyl ester;3-O-Caffeoylquinic acid methyl,Methyl chlorogenate;3-caffeoylquinic acid methyl ester;Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)-;Inhibitor,inhibit,3 O Caffeoylquinic acid methyl ester,3OCaffeoylquinic acid methyl ester;3-O-Caffeoylquinic acid methyl ester, 10 mM in DMSO |
| CAS No. | 123483-19-2 |
| PubChem CID | 6476139 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H315-H319
- Precautionary Statement(s)
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364
Synthetic Route by SureRoute
2. ACENFD356 Molecular Building Block Synthetic Route
Methyl (1S,3R,4R,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
Neochlorogenic acid methyl ester
(1R,2S,3R,5S)-2,5-Dihydroxy-5-(methoxycarbonyl)cyclohexane-1,3-diyl (2E,2'E)-bis(3-(3,4-dihydroxyphenyl)acrylate)