Account Methyl (1S,3R,4S,5R)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylate
- Catalog No. :
- ACIDGG419
- CAS No. :
- 123372-74-7
- Molecular Formula :
- C17H20O9
- Molecular Weight :
- 368.34
IUPAC Name:methyl (1S,3R,4S,5R)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylate
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50mg98%$487.00Login to see priceInquiryInquiry
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Product Information
| Product Name | Methyl (1S,3R,4S,5R)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylate |
|---|---|
| IUPAC Name | methyl (1S,3R,4S,5R)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylate |
| Molecular Formula | C17H20O9 |
| Molecular Weight | 368.34 |
| SMILES | COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/C2=CC=C(O)C(O)=C2)[C@H](O)C1 |
| InChI Key | SMFKCIHIAHWGGL-AWOKGZDASA-N |
| Synonym | Methyl 4-caffeoylquinate;4-O-(E)-Caffeoylquinic acid methyl ester;Methyl 4-O-caffeoylquinate;4-O-caffeoylquinic acid methyl ester;Cyclohexanecarboxylic acid, 4-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxy-, methyl ester, (1α,3R,4α,5R)- |
| CAS No. | 123372-74-7 |
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. ACIDGG419 Molecular Building Block Synthetic Route
(1alpha,3R,4alpha,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid
(3R,5S)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Methyl (1S,3R,4R,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate