Account Ethyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
- Catalog No. :
- ACDBUN925
- CAS No. :
- 425408-42-0
- Molecular Formula :
- C18H22O9
- Molecular Weight :
- 382.36
IUPAC Name:Ethyl chlorogenate
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5mg95%$371.00Login to see priceInquiryInquiry
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Product Information
| Product Name | Ethyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate |
|---|---|
| IUPAC Name | Ethyl chlorogenate |
| Molecular Formula | C18H22O9 |
| Molecular Weight | 382.36 |
| SMILES | CCOC([C@]1(C[C@H]([C@@H]([C@@H](C1)O)O)OC(/C=C/C2=CC(O)=C(C=C2)O)=O)O)=O |
| InChI Key | LEUHYTKFUDEERH-JKFBRHHXSA-N |
| Synonym | Ethyl chlorogenate;Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, ethyl ester, (1S,3R,4R,5R)-;Chlorogenic acid ethyl ester |
| CAS No. | 425408-42-0 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACDBUN925 Molecular Building Block Synthetic Route
(1S,3R,4R,5R)-Butyl 3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylate
(1R,3R,4S,5R)-Butyl 3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylate
(1R,2S,3R,5S)-5-(Ethoxycarbonyl)-2,5-dihydroxycyclohexane-1,3-diyl (2E,2'E)-bis(3-(3,4-dihydroxyphenyl)acrylate)