Account Adynerigenin beta-Neritrioside
- Catalog No. :
- ACGZPQ456
- CAS No. :
- 88721-09-9
- Molecular Formula :
- C42H64O17
- Molecular Weight :
- 840.96
IUPAC Name:4-((1R,3aR,4aS,6aR,8S,10aS,10bR,12aR)-8-(((2R,4R,5S,6R)-4-methoxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-1-yl)furan-2(5H)-one
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Product Information
| Product Name | Adynerigenin beta-Neritrioside |
|---|---|
| IUPAC Name | 4-((1R,3aR,4aS,6aR,8S,10aS,10bR,12aR)-8-(((2R,4R,5S,6R)-4-methoxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-1-yl)furan-2(5H)-one |
| MDL No. | MFCD22417286 |
| Molecular Formula | C42H64O17 |
| Molecular Weight | 840.96 |
| SMILES | C[C@]12[C@@]3([C@@]4(O3)[C@]([H])(CC2)[C@]5(C)[C@]([H])(CC4)C[C@H](CC5)O[C@]6(C[C@@H](OC)[C@H]([C@H](O6)C)O[C@@]7(O[C@H](CO[C@@H]8O[C@H](CO)[C@H]([C@@H]([C@H]8O)O)O)[C@H]([C@@H]([C@H]7O)O)O)[H])[H])CC[C@@H]1C(CO9)=CC9=O |
| InChI Key | FHDXJOXIIORNFS-HRQGBTQPSA-N |
| Synonym | Adynerigenin β-neritrioside;Adynerigenin beta-neritrioside;Card-20(22)-enolide, 8,14-epoxy-3-[(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-, (3β,5β)- (9CI);Adyneringentiobioside;Adynerigeninβ-neritrioside |
| CAS No. | 88721-09-9 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACGZPQ456 Molecular Building Block Synthetic Route
Cardenolide B-1
4-((1R,3aR,4aS,6aR,8S,10aS,10bR,12aR)-8-(((2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-1-yl)furan-2(5H)-one
4-(3a-hydroxy-7-((3-hydroxy-4-methoxy-6-methyl-5-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-1-yl)furan-2(5H)-one