Account Grandifloroside
- Catalog No. :
- ACECGU172
- CAS No. :
- 61186-24-1
- Molecular Formula :
- C25H30O13
- Molecular Weight :
- 538.50
IUPAC Name:(2S,3R,4S)-4-(2-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)ethyl)-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 | Grandifloroside |
|---|---|
| IUPAC Name | (2S,3R,4S)-4-(2-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)ethyl)-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 |
| MDL No. | MFCD20274719 |
| Molecular Formula | C25H30O13 |
| Molecular Weight | 538.50 |
| 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]1CCOC(/C=C/C3=CC=C(O)C(O)=C3)=O)O |
| InChI Key | ZPEFYJBGAZLAKK-IBKSRVHKSA-N |
| Synonym | Grandifloroside;2H-Pyran-5-carboxylic acid, 4-[2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-, (2S,3R,4S)- |
| CAS No. | 61186-24-1 |
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. ACECGU172 Molecular Building Block Synthetic Route
(1S,4AS,7S,7aS)-7-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)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-carboxylic acid
methyl (1R,4aR,5R,7aR)-7-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)methyl)-5-hydroxy-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
(2S,3R,4S)-Methyl 4-(2-(3,4-dihydroxyphenethoxy)-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