Account Secologanin
- Catalog No. :
- ACNWDO620
- CAS No. :
- 19351-63-4
- Molecular Formula :
- C17H24O10
- Molecular Weight :
- 388.37
IUPAC Name:methyl (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-carboxylate
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Product Information
| Product Name | Secologanin |
|---|---|
| IUPAC Name | methyl (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-carboxylate |
| Molecular Formula | C17H24O10 |
| Molecular Weight | 388.37 |
| 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@H](C=C)[C@@H]1CC=O)OC |
| InChI Key | CSKKDSFETGLMSB-NRZPKYKESA-N |
| Synonym | methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate | SCHEMBL41233 | 8-BENZYL-7-(2-(ETHYL(2-HYDROXYETHYL)AMINO)ETHYL)THEOPHYLLINE | LMPR0102070002 | methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3 |
| CAS No. | 19351-63-4 |
| PubChem CID | 161276 |
Synthetic Route by SureRoute
2. ACNWDO620 Molecular Building Block Synthetic Route
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
Secoxyloganin methyl ester
methyl (2S,3R,4S)-4-(2,2-dimethoxyethyl)-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-carboxylate