Account 6-O-acetylshanzhiside methyl ester
- Catalog No. :
- ACTIFL761
- CAS No. :
- 110186-13-5
- Molecular Formula :
- C19H28O12
- Molecular Weight :
- 448.42
IUPAC Name:6-O-acetylshanzhiside methyl ester
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Product Information
| Product Name | 6-O-acetylshanzhiside methyl ester |
|---|---|
| IUPAC Name | 6-O-acetylshanzhiside methyl ester |
| Molecular Formula | C19H28O12 |
| Molecular Weight | 448.42 |
| SMILES | O=C(C1=CO[C@@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)[C@@]3([H])[C@]1([H])[C@H](OC(C)=O)C[C@@]3(O)C)OC |
| InChI Key | GKXRBKPTVBNOEE-NGQYDJQZSA-N |
| Synonym | Cyclopenta[c]pyran-4-carboxylic acid, 5-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, methyl ester, (1S,4aS,5R,7S,7aS)- |
| CAS No. | 110186-13-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACTIFL761 Molecular Building Block Synthetic Route
Methyl (1S,4aS,5R,7S,7aS)-7-acetoxy-5-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-4-carboxylate
Methyl (1S,4aS,5R,7S,7aS)-5,7-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-4-carboxylate
methyl (1S,4aS,5S,6S,7R,7aS)-5,6,7-trihydroxy-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