Account 4,5-Di-O-caffeoylquinic acid
- Catalog No. :
- ACMQML015
- CAS No. :
- 89886-30-6
- Molecular Formula :
- C25H24O12
- Molecular Weight :
- 516.46
IUPAC Name:(1R,3R,4S,5R)-3,4-bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,5-dihydroxycyclohexane-1-carboxylic acid
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Product Information
| Product Name | 4,5-Di-O-caffeoylquinic acid |
|---|---|
| IUPAC Name | (1R,3R,4S,5R)-3,4-bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,5-dihydroxycyclohexane-1-carboxylic acid |
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.46 |
| SMILES | O=C([C@]1(O)C[C@@H](OC(/C=C/C2=CC=C(O)C(O)=C2)=O)[C@@H](OC(/C=C/C3=CC=C(O)C(O)=C3)=O)[C@H](O)C1)O |
| InChI Key | UFCLZKMFXSILNL-RVXRWRFUSA-N |
| Synonym | Cyclohexanecarboxylic acid, 3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1R,3R,4S,5R)- |
| CAS No. | 89886-30-6 |
Synthetic Route by SureRoute
2. ACMQML015 Molecular Building Block Synthetic Route
3,4-Dicaffeoylquinic Acid
(1R,3R,4S,5R)-3,4-Bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,5-dihydroxycyclohexanecarboxylic acid
(1S,3R,4S,5R)-3,4,5-Tris(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1-hydroxycyclohexane-1-carboxylic acid