Account (1R,3R,4S,5R)-3,5-Bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxy-3-methylcyclohexane-1-carboxylic acid
- Catalog No. :
- ACTGVC394
- CAS No. :
- 2450-53-5
- Molecular Formula :
- C26H26O12
- Molecular Weight :
- 530.48
IUPAC Name:(1R,3R,4S,5R)-3,5-bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxy-3-methylcyclohexane-1-carboxylic acid
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Product Information
| Product Name | (1R,3R,4S,5R)-3,5-Bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxy-3-methylcyclohexane-1-carboxylic acid |
|---|---|
| IUPAC Name | (1R,3R,4S,5R)-3,5-bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxy-3-methylcyclohexane-1-carboxylic acid |
| MDL No. | MFCD00951290 |
| Molecular Formula | C26H26O12 |
| Molecular Weight | 530.48 |
| SMILES | O=C([C@]1(O)C[C@@](C)(OC(C=CC2=CC=C(O)C(O)=C2)=O)[C@@H](O)[C@H](OC(C=CC3=CC=C(O)C(O)=C3)=O)C1)O |
| InChI Key | AQYYVIUNPZZKHV-BXTXKUJDSA-N |
| Synonym | Isochlorogenic acid A | 3,5-Dicaffeoylquinic acid | 2450-53-5 | 3,5-Di-O-caffeoylquinic acid | 89919-62-0 | 3,5-DCQA | Quinic acid 3,5-di-O-caffeate | (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid | 3,5-Dicaffeoy |
| CAS No. | 2450-53-5 |
| PubChem CID | 6474310 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACTGVC394 Molecular Building Block Synthetic Route
(1α,3R,4α,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid
rel-(1R,3S,4R,5S)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid
(1R,3R,4R,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexane-1-carboxylic acid