Account ((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
- Catalog No. :
- ACWRBB032
- CAS No. :
- 193969-08-3
- Molecular Formula :
- C23H28O12
- Molecular Weight :
- 496.46
IUPAC Name:((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
![((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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | ((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 |
|---|---|
| IUPAC Name | ((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 |
| Molecular Formula | C23H28O12 |
| Molecular Weight | 496.46 |
| SMILES | O=C(OCC1=C[C@@H](O)[C@@]2([H])[C@]1([H])[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)OC=C2)C4=CC=C(O)C(OC)=C4 |
| InChI Key | VTYVNBXSLBXSGD-IFWLTBFJSA-N |
| Synonym | 10-O-Vanilloylaucubin;[(1S,4~{a}R,5S,7~{a}S)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4~{a},5,7~{a}-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxy-3-methoxybenzoate;β-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]cyclopenta[c]pyran-1-yl |
| CAS No. | 193969-08-3 |
Synthetic Route by SureRoute
2. ACWRBB032 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)-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,5R,7S,7aS)-7-hydroxy-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-5-yl 4-hydroxy-3-methoxybenzoate