Account 4-O-Caffeoylshikimic acid
- Catalog No. :
- ACUXRE941
- CAS No. :
- 180842-65-3
- Molecular Formula :
- C16H16O8
- Molecular Weight :
- 336.30
IUPAC Name:(3R,4S,5R)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-3,5-dihydroxycyclohex-1-ene-1-carboxylic acid
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Product Information
| Product Name | 4-O-Caffeoylshikimic acid |
|---|---|
| IUPAC Name | (3R,4S,5R)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-3,5-dihydroxycyclohex-1-ene-1-carboxylic acid |
| Molecular Formula | C16H16O8 |
| Molecular Weight | 336.30 |
| SMILES | O(C(/C=C/C1=CC(O)=C(O)C=C1)=O)[C@H]2[C@H](O)CC(C(O)=O)=C[C@H]2O |
| InChI Key | VTURJKQJEXSKNY-GDDAOPKQSA-N |
| Synonym | 4-O-Caffeoylshikimic acid;1-Cyclohexene-1-carboxylic acid, 4-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxy-, (3R,4S,5R)- |
| CAS No. | 180842-65-3 |
Synthetic Route by SureRoute
2. ACUXRE941 Molecular Building Block Synthetic Route
(3R,4R,5R)-5-(((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-3,4-dihydroxycyclohex-1-enecarboxylic acid
(3R,4S,5R)-3,5-Dihydroxy-4-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohex-1-ene-1-carboxylic acid
Ethyl (3S,4S,5R)-5-acetoxy-3,4-dihydroxycyclohex-1-ene-1-carboxylate