Account Amaroswerin
- Catalog No. :
- ACKPUV945
- CAS No. :
- 21233-18-1
- Molecular Formula :
- C29H30O14
- Molecular Weight :
- 602.54
IUPAC Name:(2S,3R,4S,5S,6R)-4,5-dihydroxy-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)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl 3,3',5-trihydroxy-[1,1'-biphenyl]-2-carboxylate
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Product Information
| Product Name | Amaroswerin |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-4,5-dihydroxy-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)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl 3,3',5-trihydroxy-[1,1'-biphenyl]-2-carboxylate |
| Molecular Formula | C29H30O14 |
| Molecular Weight | 602.54 |
| SMILES | C=C[C@@H]1[C@@]2(O)C(C(OCC2)=O)=CO[C@H]1O[C@H]3[C@H](OC(C4=C(C=C(O)C=C4O)C5=CC(O)=CC=C5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O3 |
| InChI Key | UZYZCCWBBBCDAD-WCYQFIIKSA-N |
| Synonym | E89048 | [(2S,3R,4S,5S,6R)-2-[[(4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate | 5-Ethenyl-4a-hydroxy-1-oxo-4,4a,5,6-tetrahydro-1H,3H-py |
| CAS No. | 21233-18-1 |
| PubChem CID | 3084352 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACKPUV945 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(((3S,4R,4aS)-8-oxo-4-vinyl-3,4,4a,5,6,8-hexahydropyrano[3,4-c]pyran-3-yl)oxy)tetrahydro-2H-pyran-3-yl 3,3',5-trihydroxy-[1,1'-biphenyl]-2-carboxylate
(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)-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