Account Chlorogenicacidhemihydrate
- Catalog No. :
- ACPAPE501
- CAS No. :
- 6001-76-9
- Molecular Formula :
- C32H38O19
- Molecular Weight :
- 726.64
IUPAC Name:(1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid hemihydrate
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
1g95%$150.00Login to see priceInquiryInquiry
5g95%$521.00Login to see priceInquiryInquiry
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Product Information
| Product Name | Chlorogenicacidhemihydrate |
|---|---|
| IUPAC Name | (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid hemihydrate |
| Molecular Formula | C32H38O19 |
| Molecular Weight | 726.64 |
| SMILES | O.O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O.O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O |
| InChI Key | KMUJVRDSAIKKTF-MTDLMOCGSA-N |
| Synonym | Chlorogenic acid hemihydrate, >=98.0% (T) | Chlorogenic acid hemihydrate | (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid--water (2/1) | CHLOROGENICACIDHEMIHYDRATE | DTXSID80745381 | (1S,3R,4R |
| CAS No. | 6001-76-9 |
| PubChem CID | 71306904 |
Synthetic Route by SureRoute
2. ACPAPE501 Molecular Building Block Synthetic Route
(1S,3R,4R,5R)-3-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid
5-O-(trans-3,4-Dihydroxycinnamoyl)-D-quinic Acid
(1R,3R,4S,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid