Account Breyniaionoside A
- Catalog No. :
- ACYGPM347
- CAS No. :
- 823182-23-6
- Molecular Formula :
- C19H32O9
- Molecular Weight :
- 404.46
IUPAC Name:(4S,5R)-4-hydroxy-4-((E)-4-hydroxy-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)-3,3,5-trimethylcyclohexan-1-one
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Product Information
| Product Name | Breyniaionoside A |
|---|---|
| IUPAC Name | (4S,5R)-4-hydroxy-4-((E)-4-hydroxy-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)-3,3,5-trimethylcyclohexan-1-one |
| Molecular Formula | C19H32O9 |
| Molecular Weight | 404.46 |
| SMILES | O=C1CC(C)(C)[C@@](O)(/C=C/C(O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)CO)[C@H](C)C1 |
| InChI Key | JTIZGDFRGKUHKK-XUQLTRDPSA-N |
| Synonym | Breyniaionoside A;(4S,5R)-4-[(1E)-3-(beta-D-Glucopyranosyloxy)-4-hydroxy-1-buten-1-yl]-4-hydroxy-3,3,5-trimethylcyclohexanone;Cyclohexanone, 4-[(1E)-3-(β-D-glucopyranosyloxy)-4-hydroxy-1-buten-1-yl]-4-hydroxy-3,3,5-trimethyl-, (4S,5R)- |
| CAS No. | 823182-23-6 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACYGPM347 Molecular Building Block Synthetic Route
(S)-4-hydroxy-3,5,5-trimethyl-4-((S,E)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one
(S)-4-hydroxy-3,5,5-trimethyl-4-((R,E)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one
(2R,3R,4S,5S,6R)-2-(((1S,3R,4R)-3,4-dihydroxy-4-((R,E)-3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohexyl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol