Account 1,3-O-Dicaffeoylquinic acid
- Catalog No. :
- ACBRML105
- CAS No. :
- 19870-46-3
- Molecular Formula :
- C25H24O12
- Molecular Weight :
- 516.46
IUPAC Name:(1S,3R,4R,5R)-1,3-bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-4,5-dihydroxycyclohexane-1-carboxylic acid
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
10mg98%$62.00Login to see priceIn stockInquiry
25mg98%$126.00Login to see priceIn stockInquiry
50mg98%$188.00Login to see priceIn stockInquiry
100mg98%$282.00Login to see priceIn stockInquiry
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Product Information
| Product Name | 1,3-O-Dicaffeoylquinic acid |
|---|---|
| IUPAC Name | (1S,3R,4R,5R)-1,3-bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-4,5-dihydroxycyclohexane-1-carboxylic acid |
| MDL No. | MFCD00075714 |
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.46 |
| SMILES | O=C([C@@]1(OC(/C=C/C2=CC=C(O)C(O)=C2)=O)C[C@@H](OC(/C=C/C3=CC=C(O)C(O)=C3)=O)[C@H](O)[C@H](O)C1)O |
| InChI Key | YDDUMTOHNYZQPO-PSEXTPKNSA-N |
| Synonym | (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxy-cyclohexanecarboxylic acid | Spectrum4_001383 | Cyclohexanecarboxylic acid,1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxy-,(1S,3R,4R,5R)- | NSC218351 | |
| CAS No. | 19870-46-3 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACBRML105 Molecular Building Block Synthetic Route
(1R,3R,4S,5R)-1,3-Bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-4,5-dihydroxycyclohexanecarboxylic acid
Dicaffeoylquininic acid
rel-(1alpha,3R,4alpha,5R)-1,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxycyclohexanecarboxylic acid