Account 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
- Catalog No. :
- ACWGKW063
- CAS No. :
- 114637-83-1
- Molecular Formula :
- C26H26O12
- Molecular Weight :
- 530.48
IUPAC Name: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
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| Molecular Formula | C26H26O12 |
| Molecular Weight | 530.48 |
| SMILES | COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)C=CC2=CC=C(O)C(O)=C2)[C@H](OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C1 |
| InChI Key | PKJBSZTYNDRXEQ-VFARRMDQSA-N |
| Synonym | 3,4-Di-O-caffeoylquinic methyl ester;3,4-Di-O-caffeoylquinic acid methyl ester;Cyclohexanecarboxylicacid,3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-,methyl ester, (1S,3R,4R,5R)-;3,4-O-Dicaffeoylquinicacidmethylester |
| CAS No. | 114637-83-1 |
Synthetic Route by SureRoute
2. ACWGKW063 Molecular Building Block Synthetic Route
(1R,2S,3R,5R)-3,5-Dihydroxy-5-(methoxycarbonyl)cyclohexane-1,2-diyl (2E,2'E)-bis(3-(3,4-dihydroxyphenyl)acrylate)
Methyl (1S,3R,4R,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
Neochlorogenic acid methyl ester