Account (2S,3R,4S,5R,6R)-6-(acetoxymethyl)-2-(((4aR,5R,6S)-4a-hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)-5-((2-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoyl)oxy)tetrahydro-2H-pyran-3,4-diyl diacetate
- Catalog No. :
- ACSRMZ681
- CAS No. :
- 128420-44-0
- Molecular Formula :
- C35H42O21
- Molecular Weight :
- 798.70
IUPAC Name:(2S,3R,4S,5R,6R)-6-(acetoxymethyl)-2-(((4aR,5R,6S)-4a-hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)-5-((2-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoyl)oxy)tetrahydro-2H-pyran-3,4-diyl diacetate
![(2S,3R,4S,5R,6R)-6-(acetoxymethyl)-2-(((4aR,5R,6S)-4a-hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)-5-((2-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoyl)oxy)tetrahydro-2H-pyran-3,4-diyl diacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,3R,4S,5R,6R)-6-(acetoxymethyl)-2-(((4aR,5R,6S)-4a-hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)-5-((2-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoyl)oxy)tetrahydro-2H-pyran-3,4-diyl diacetate |
|---|---|
| IUPAC Name | (2S,3R,4S,5R,6R)-6-(acetoxymethyl)-2-(((4aR,5R,6S)-4a-hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)-5-((2-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoyl)oxy)tetrahydro-2H-pyran-3,4-diyl diacetate |
| Molecular Formula | C35H42O21 |
| Molecular Weight | 798.70 |
| SMILES | C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(=O)C3=C(O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3)[C@H](OC(C)=O)[C@H]2OC(C)=O)OC=C2C(=O)OCC[C@]21O |
| InChI Key | XINNQYBYFFJBAM-OBOKACSWSA-N |
| Synonym | Gelidoside;1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[[2,3,6-tri-O-acetyl-4-O-[3-(β-D-glucopyranosyloxy)-2-hydroxybenzoyl]-β-D-glucopyranosyl]oxy]-, (4aR,5R,6S)- |
| CAS No. | 128420-44-0 |
Synthetic Route by SureRoute
2. ACSRMZ681 Molecular Building Block Synthetic Route
(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)-5-((2-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoyl)oxy)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3,4-diyl diacetate
(2S,3R,4S)-Methyl 4-(2-((2-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoyl)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-carboxylate
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