Account (1R,2S,3R,5S)-2,5-Dihydroxy-5-(methoxycarbonyl)cyclohexane-1,3-diyl (2E,2'E)-bis(3-(3,4-dihydroxyphenyl)acrylate)
- Catalog No. :
- ACRZMG031
- CAS No. :
- 159934-13-1
- Molecular Formula :
- C26H26O12
- Molecular Weight :
- 530.48
IUPAC Name:(1R,2S,3R,5S)-2,5-dihydroxy-5-(methoxycarbonyl)cyclohexane-1,3-diyl (2E,2'E)-bis(3-(3,4-dihydroxyphenyl)acrylate)
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Product Information
| Product Name | (1R,2S,3R,5S)-2,5-Dihydroxy-5-(methoxycarbonyl)cyclohexane-1,3-diyl (2E,2'E)-bis(3-(3,4-dihydroxyphenyl)acrylate) |
|---|---|
| IUPAC Name | (1R,2S,3R,5S)-2,5-dihydroxy-5-(methoxycarbonyl)cyclohexane-1,3-diyl (2E,2'E)-bis(3-(3,4-dihydroxyphenyl)acrylate) |
| Molecular Formula | C26H26O12 |
| Molecular Weight | 530.48 |
| SMILES | COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/C2=CC=C(O)C(O)=C2)[C@@H](O)[C@H](OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C1 |
| InChI Key | VEBNYMXKXIIGFX-VOHNXBSUSA-N |
| Synonym | 3,5-Di-O-caffeoylquinic methyl ester;3,5-Di-O-caffeoylquinic acid methyl ester;Macranthoin G;methyl (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylate;Cyclohexanecarboxylic acid, 3,5-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4-dihydroxy-, methyl ester, (1α,3R,4α,5R)-;Methyl3,5-di-O-caffeoylquinate;3,5-Dicaffeoylquinic Acid Methyl Ester |
| CAS No. | 159934-13-1 |
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. ACRZMG031 Molecular Building Block Synthetic Route
Methyl (1S,3R,4R,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
Neochlorogenic acid methyl ester
Methyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate