Account Caprarioside
- Catalog No. :
- ACKZDU825
- CAS No. :
- 1151862-69-9
- Molecular Formula :
- C22H28O11
- Molecular Weight :
- 468.45
IUPAC Name:(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-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-7-yl benzoate
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Product Information
| Product Name | Caprarioside |
|---|---|
| IUPAC Name | (1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-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-7-yl benzoate |
| Molecular Formula | C22H28O11 |
| Molecular Weight | 468.45 |
| SMILES | O=C(C1=CC=CC=C1)O[C@@]2([C@]3([H])[C@]([C@@H](C2)O)(C=CO[C@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O)C |
| InChI Key | SMCDFJHVOYELKQ-UHXGZAEASA-N |
| Synonym | Caprarioside;β-D-Glucopyranoside, (1S,4aS,5R,7S,7aS)-7-(benzoyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methylcyclopenta[c]pyran-1-yl;8-O-Benzoylharpagide |
| CAS No. | 1151862-69-9 |
Synthetic Route by SureRoute
2. ACKZDU825 Molecular Building Block Synthetic Route
(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
(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)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-methoxybenzoate
(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl 3,4-dihydroxybenzoate