Account 10-O-Coumaroyl-10-O-deacetylasperuloside
- Catalog No. :
- ACAEWZ706
- CAS No. :
- 903519-82-4
- Molecular Formula :
- C25H26O12
- Molecular Weight :
- 518.47
IUPAC Name:((2aS,2a1S,4aS,5S)-1-oxo-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2a,2a1,4a,5-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl)methyl (E)-3-(4-hydroxyphenyl)acrylate
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Product Information
| Product Name | 10-O-Coumaroyl-10-O-deacetylasperuloside |
|---|---|
| IUPAC Name | ((2aS,2a1S,4aS,5S)-1-oxo-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2a,2a1,4a,5-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl)methyl (E)-3-(4-hydroxyphenyl)acrylate |
| Molecular Formula | C25H26O12 |
| Molecular Weight | 518.47 |
| SMILES | OC(C=C1)=CC=C1/C=C/C(OCC2=C[C@@](OC(C3=CO4)=O)([H])[C@@]3([H])[C@]2([H])[C@@H]4O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)=O |
| InChI Key | JXFDBOBLMXBLDZ-ULUBWVSDSA-N |
| Synonym | 10-O-Coumaroyl-10-O-deacetylasperuloside;[(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.0^{4,11}]undeca-1(10),5-dien-6-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate;2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(2aS,4aS,5S,7bS)-5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl ester, (2E)- (9CI) |
| CAS No. | 903519-82-4 |
Synthetic Route by SureRoute
2. ACAEWZ706 Molecular Building Block Synthetic Route
Methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-((3-(4-hydroxyphenyl)acryloyl)oxy)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
methyl (1R,4aR,5R,7aR)-7-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)methyl)-5-hydroxy-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
((2aS,2a1S,4aS,5S)-1-Oxo-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2a,2a1,4a,5-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl)methyl acetate