Account Secologanate
- Catalog No. :
- ACCTOV499
- CAS No. :
- 22864-93-3
- Molecular Formula :
- C16H22O10
- Molecular Weight :
- 374.34
IUPAC Name:(2S,3R,4S)-4-(2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid
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Product Information
| Product Name | Secologanate |
|---|---|
| IUPAC Name | (2S,3R,4S)-4-(2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid |
| Molecular Formula | C16H22O10 |
| Molecular Weight | 374.34 |
| SMILES | O=C(C1=CO[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](C=C)[C@@H]1CC=O)O |
| InChI Key | PUEUIRDVQIKCCG-ZASXJUAOSA-N |
| Synonym | Secologanate |
| CAS No. | 22864-93-3 |
Synthetic Route by SureRoute
2. ACCTOV499 Molecular Building Block Synthetic Route
(2S,3R,4S)-4-(Carboxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid
Secologanin
2-((2S,3R,4S)-5-(Methoxycarbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl)acetic acid