Account (1alpha,3R,4alpha,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid
- Catalog No. :
- ACFDBN398
- CAS No. :
- 905-99-7
- Molecular Formula :
- C16H18O9
- Molecular Weight :
- 354.31
IUPAC Name:(1S,3R,4S,5R)-4-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylic acid
![(1alpha,3R,4alpha,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid structure diagram](/images/productimg/no-pic.svg)
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
25mg98%$106.00Login to see priceIn stockInquiry
50mg98%$181.00Login to see priceIn stockIn stock
100mg98%$310.00Login to see priceIn stockIn stock
250mg98%$572.00Login to see priceIn stockInquiry
1g98%$2174.00Login to see priceIn stockInquiry
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Product Information
| Product Name | (1alpha,3R,4alpha,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid |
|---|---|
| IUPAC Name | (1S,3R,4S,5R)-4-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylic acid |
| MDL No. | MFCD10566638 |
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.31 |
| SMILES | O(C(C=CC1=CC(O)=C(O)C=C1)=O)[C@@H]2[C@H](O)C[C@](C(O)=O)(O)C[C@H]2O |
| InChI Key | GYFFKZTYYAFCTR-NCZKRNLISA-N |
| Synonym | Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester | Cyclohexanecarboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)- | 4-Caffeoylquinic acid | Quinic acid, 4-caffeoyl-, E- | AK |
| CAS No. | 905-99-7 |
| PubChem CID | 9798666 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACFDBN398 Molecular Building Block Synthetic Route
(3R,5S)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Methyl (1S,3R,4S,5R)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylate
(1S,3R,4R,5R)-3-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid