Account Clorobiocin
- Catalog No. :
- ACQPSW136
- CAS No. :
- 39868-96-7
- Molecular Formula :
- C35H37ClN2O11
- Molecular Weight :
- 697.14
IUPAC Name:(3R,4S,5R,6S)-6-((8-chloro-4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido)-2-oxo-2H-chromen-7-yl)oxy)-5-hydroxy-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl 5-methyl-1H-pyrrole-2-carboxylate
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Product Information
| Product Name | Clorobiocin |
|---|---|
| IUPAC Name | (3R,4S,5R,6S)-6-((8-chloro-4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido)-2-oxo-2H-chromen-7-yl)oxy)-5-hydroxy-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl 5-methyl-1H-pyrrole-2-carboxylate |
| Molecular Formula | C35H37ClN2O11 |
| Molecular Weight | 697.14 |
| SMILES | O=C(C1=CC=C(C)N1)O[C@@H]2[C@@H](OC)C(C)(C)O[C@@H](OC3=C(Cl)C(O4)=C(C=C3)C(O)=C(NC(C5=CC=C(O)C(CC=C(C)C)=C5)=O)C4=O)[C@@H]2O |
| InChI Key | FJAQNRBDVKIIKK-LFLQOBSNSA-N |
| Synonym | DTXSID401028112 | RP 18631 | 1kzn | 18631 RP | N-[8-chloro-7-({6-deoxy-5-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-beta-D-gulopyranosyl}oxy)-4-hydroxy-2-oxo-2H-chromen-3-yl]-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide | [(3R,4S,5R,6S)-6-[ |
| CAS No. | 39868-96-7 |
| PubChem CID | 54706138 |
Synthetic Route by SureRoute
2. ACQPSW136 Molecular Building Block Synthetic Route
(2R,2'R,3R,3'R,4S,4'S,5R,5'R)-((((3-methyl-1H-pyrrole-2,4-dicarbonyl)bis(azanediyl))bis(4-hydroxy-8-methyl-2-oxo-2H-chromene-3,7-diyl))bis(oxy))bis(3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2,4-diyl) bis(5-methyl-1H-pyrrole-2-carboxylate)
(3R,4S,5R,6R)-5-Hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate
Sodium 4-((7-(((2R,3R,4S,5R)-4-(carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)carbamoyl)-2-(3-methylbut-2-en-1-yl)phenolate