Account (1R,2S,3R,5R)-3,5-Dihydroxy-5-(methoxycarbonyl)cyclohexane-1,2-diyl (2E,2'E)-bis(3-(3,4-dihydroxyphenyl)acrylate)
- Catalog No. :
- ACWDPS675
- CAS No. :
- 188742-80-5
- Molecular Formula :
- C26H26O12
- Molecular Weight :
- 530.48
IUPAC Name:4,5-O-Dicaffeoyl quinic acid methyl ester
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Product Information
| Product Name | (1R,2S,3R,5R)-3,5-Dihydroxy-5-(methoxycarbonyl)cyclohexane-1,2-diyl (2E,2'E)-bis(3-(3,4-dihydroxyphenyl)acrylate) |
|---|---|
| IUPAC Name | 4,5-O-Dicaffeoyl quinic acid methyl ester |
| MDL No. | MFCD11040885 |
| Molecular Formula | C26H26O12 |
| Molecular Weight | 530.48 |
| SMILES | OC(C=C1/C=C/C(O[C@@H]2[C@@H](C[C@](O)(C[C@H]2O)C(OC)=O)OC(/C=C/C3=CC(O)=C(C=C3)O)=O)=O)=C(C=C1)O |
| InChI Key | PKJBSZTYNDRXEQ-GMGOHGFSSA-N |
| Synonym | 4,5-Di-O-caffeoylquinic acid methyl ester;Cyclohexanecarboxylic acid, 3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, methyl ester, (1R,3R,4S,5R)-;4,5-O-Dicaffeoyl quinic acid methyl ester |
| CAS No. | 188742-80-5 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACWDPS675 Molecular Building Block Synthetic Route
Methyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-4-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,5-dihydroxycyclohexane-1-carboxylate
Methyl (1S,3R,4R,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
Neochlorogenic acid methyl ester