Account Methyl (1S,3R,4R,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
- Catalog No. :
- ACEGFZ563
- CAS No. :
- 29708-87-0
- Molecular Formula :
- C17H20O9
- Molecular Weight :
- 368.34
IUPAC Name:methyl (1S,3R,4R,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
5mg99%$86.00Login to see priceIn stockInquiry
10mg99%$138.00Login to see priceIn stockInquiry
25mg99%$261.00Login to see priceIn stockInquiry
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Product Information
| Product Name | Methyl (1S,3R,4R,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate |
|---|---|
| IUPAC Name | methyl (1S,3R,4R,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate |
| Molecular Formula | C17H20O9 |
| Molecular Weight | 368.34 |
| SMILES | COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)C=CC2=CC=C(O)C(O)=C2)C1 |
| InChI Key | MZNIJRAPCCELQX-SMKXDYDZSA-N |
| Synonym | methyl chlorogenate;(1S,4R,5R)-3β-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid methyl ester;3-(3,4-Dihydroxyphenyl)propenoic acid [(2R)-2α,3α,5α-trihydroxy-5-(methoxycarbonyl)cyclohexane]-1β-yl ester;lysjz;Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)-;Methylhydrogenation;Methyl chlorogenate（Chlorogenic acid methyl ester）;methyl chlorogenate, 10 mM in DMSO |
| CAS No. | 29708-87-0 |
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. ACEGFZ563 Molecular Building Block Synthetic Route
Neochlorogenic acid methyl ester
Methyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
(1R,2S,3R,5S)-2,5-Dihydroxy-5-(methoxycarbonyl)cyclohexane-1,3-diyl (2E,2'E)-bis(3-(3,4-dihydroxyphenyl)acrylate)