Account Dicaffeoylquininic acid
- Catalog No. :
- ACEABQ008
- CAS No. :
- 251320-66-8
- 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
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Product Information
| Product Name | Dicaffeoylquininic acid |
|---|---|
| IUPAC Name | (1S,3R,4R,5R)-1,3-bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-4,5-dihydroxycyclohexane-1-carboxylic acid |
| 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 | Cyclohexanecarboxylic acid, 1,3-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-, (1S,3R,4R,5R)-;Dicaffeoylquininic acid;IBE 5;IBE5;IBE-5 |
| CAS No. | 251320-66-8 |
Synthetic Route by SureRoute
2. ACEABQ008 Molecular Building Block Synthetic Route
(1R,3R,4S,5R)-1,3-Bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-4,5-dihydroxycyclohexanecarboxylic acid
1,3-O-Dicaffeoylquinic acid
rel-(1alpha,3R,4alpha,5R)-1,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxycyclohexanecarboxylic acid