Account 5-O-(trans-3,4-Dihydroxycinnamoyl)-D-quinic Acid
- Catalog No. :
- ACJCBT486
- CAS No. :
- 906-33-2
- Molecular Formula :
- C16H18O9
- Molecular Weight :
- 354.31
IUPAC Name:(1R,3R,4S,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid
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10mg98%$87.00Login to see priceIn stockInquiry
50mg98%$248.00Login to see priceIn stockIn stock
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1g98%$1800.00Login to see priceIn stockInquiry
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Product Information
| Product Name | 5-O-(trans-3,4-Dihydroxycinnamoyl)-D-quinic Acid |
|---|---|
| IUPAC Name | (1R,3R,4S,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| MDL No. | MFCD10566639 |
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.31 |
| SMILES | O=C([C@]1(O)C[C@@H](OC(/C=C/C2=CC=C(O)C(O)=C2)=O)[C@@H](O)[C@H](O)C1)O |
| InChI Key | CWVRJTMFETXNAD-NXLLHMKUSA-N |
| Synonym | Neochlorogenic acid | 906-33-2 | 5-O-Caffeoylquinic acid | Neochlorogenate | 5-Caffeylquinic acid | (E)-Neochlorogenic Acid | UNII-O4601UER1Z | O4601UER1Z | CHEBI:16384 | trans-Neochlorogenic acid | EINECS 212-997-1 | (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]ox |
| CAS No. | 906-33-2 |
| PubChem CID | 5280633 |
Synthetic Route by SureRoute
2. ACJCBT486 Molecular Building Block Synthetic Route
(1S,3R,4R,5R)-3-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid
(1R,3R,4S,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Chlorogenicacidhemihydrate