Account (1S,4AR,5S,7aS)-7-(hydroxymethyl)-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-5-yl 4-hydroxybenzoate
- Catalog No. :
- ACYGFF481
- CAS No. :
- 1016987-87-3
- Molecular Formula :
- C22H26O11
- Molecular Weight :
- 466.44
IUPAC Name:(1S,4aR,5S,7aS)-7-(hydroxymethyl)-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-5-yl 4-hydroxybenzoate
![(1S,4AR,5S,7aS)-7-(hydroxymethyl)-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-5-yl 4-hydroxybenzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,4AR,5S,7aS)-7-(hydroxymethyl)-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-5-yl 4-hydroxybenzoate |
|---|---|
| IUPAC Name | (1S,4aR,5S,7aS)-7-(hydroxymethyl)-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-5-yl 4-hydroxybenzoate |
| Molecular Formula | C22H26O11 |
| Molecular Weight | 466.44 |
| SMILES | O=C(O[C@@H]1C=C(CO)[C@@]2([H])[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)OC=C[C@]21[H])C4=CC=C(O)C=C4 |
| InChI Key | JZWZFNOVWZEQMF-QNAXTHAFSA-N |
| Synonym | 6-O-p-Hydroxybenzoylaucubin;Derwentioside B;β-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-[(4-hydroxybenzoyl)oxy]-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl |
| CAS No. | 1016987-87-3 |
Synthetic Route by SureRoute
2. ACYGFF481 Molecular Building Block Synthetic Route
((1S,4aR,5S,7aS)-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-7-yl)methyl 4-hydroxybenzoate
((1S,4AR,5S,7aS)-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-7-yl)methyl 4-hydroxy-3-methoxybenzoate
(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((4-hydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl 4-hydroxybenzoate