Account Durantoside II
- Catalog No. :
- ACFRQX170
- CAS No. :
- 53526-66-2
- Molecular Formula :
- C27H34O14
- Molecular Weight :
- 582.55
IUPAC Name:methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-(((E)-3-(4-methoxyphenyl)acryloyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
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Product Information
| Product Name | Durantoside II |
|---|---|
| IUPAC Name | methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-(((E)-3-(4-methoxyphenyl)acryloyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate |
| Molecular Formula | C27H34O14 |
| Molecular Weight | 582.55 |
| SMILES | O=C(C1=CO[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@]3([H])[C@]1(O)C[C@H](OC(/C=C/C4=CC=C(OC)C=C4)=O)[C@@]3(O)C)OC |
| InChI Key | DVQVHBAATHWQAS-OALRNCSFSA-N |
| Synonym | Durantoside II;Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-6-[[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-7-methyl-, methyl ester, (1S,4aR,6S,7R,7aS)- |
| CAS No. | 53526-66-2 |
Synthetic Route by SureRoute
2. ACFRQX170 Molecular Building Block Synthetic Route
methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
methyl (1S,4aS,5R,7S,7aS)-7-hydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a-hydroxy-7-methyl-5-((3-phenylacryloyl)oxy)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate