Account (2R,3S,4S,5S,6R)-6-(((3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-(((2R,3S,4R,5S)-3,4-Dihydroxy-5-(isobutyryloxy)-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-11-ethyl-8-hydroxy-18-((R)-1-hydroxyethyl)-9,13,15-trimethyl-2-oxooxacyclooctadeca-3,5,9,13,15-pentaen-3-yl)methoxy)-4-hydroxy-5-methoxy-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
- Catalog No. :
- ACGVIK628
- CAS No. :
- 873857-62-6
- Molecular Formula :
- C52H74Cl2O18
- Molecular Weight :
- 1058.05
IUPAC Name:(2R,3S,4S,5S,6R)-6-(((3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-(((2R,3S,4R,5S)-3,4-dihydroxy-5-(isobutyryloxy)-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-11-ethyl-8-hydroxy-18-((R)-1-hydroxyethyl)-9,13,15-trimethyl-2-oxooxacyclooctadeca-3,5,9,13,15-pentaen-3-yl)methoxy)-4-hydroxy-5-methoxy-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
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Product Information
| Product Name | (2R,3S,4S,5S,6R)-6-(((3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-(((2R,3S,4R,5S)-3,4-Dihydroxy-5-(isobutyryloxy)-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-11-ethyl-8-hydroxy-18-((R)-1-hydroxyethyl)-9,13,15-trimethyl-2-oxooxacyclooctadeca-3,5,9,13,15-pentaen-3-yl)methoxy)-4-hydroxy-5-methoxy-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate |
|---|---|
| IUPAC Name | (2R,3S,4S,5S,6R)-6-(((3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-(((2R,3S,4R,5S)-3,4-dihydroxy-5-(isobutyryloxy)-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-11-ethyl-8-hydroxy-18-((R)-1-hydroxyethyl)-9,13,15-trimethyl-2-oxooxacyclooctadeca-3,5,9,13,15-pentaen-3-yl)methoxy)-4-hydroxy-5-methoxy-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate |
| MDL No. | MFCD27976367 |
| Molecular Formula | C52H74Cl2O18 |
| Molecular Weight | 1058.05 |
| SMILES | C/C([C@H](C/C=C/C=C1\CO[C@@H]([C@H]2OC)O[C@@H]([C@H]([C@@H]2O)OC(C3=C(CC)C(Cl)=C(O)C(Cl)=C3O)=O)C)O)=C\[C@H](CC)[C@@H](O[C@@H]([C@H]4O)OC(C)([C@H]([C@@H]4O)OC(C(C)C)=O)C)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC1=O |
| InChI Key | ZVGNESXIJDCBKN-UUEYKCAUSA-N |
| Synonym | Clostomycin B1 | FIDAXOMICIN [VANDF] | FI8 | Fidaxomicin | Q5446672 | fidaxomicine | GTPL10909 | (2R,3S,4S,5S,6R)-6-{[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-{[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-11-ethyl-8-hydroxy-18-[(1R)-1- |
| CAS No. | 873857-62-6 |
| PubChem CID | 10034073 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H361
- Precautionary Statement(s)
- P201-P202-P264-P270-P281-P301+P312-P308+P313-P330-P405-P501
Synthetic Route by SureRoute
2. ACGVIK628 Molecular Building Block Synthetic Route
(3E,5E,8S,9Z,11S,12R,13E,15E,18S)-3-[[[6-Deoxy-4-O-(3,5-dichloro-2-ethyl-4,6-dihydroxybenzoyl)-2-O-methyl-β-L-mannopyranosyl]oxy]methyl]-12-[[6-deoxy-5-C-methyl-4-O-(2-methyl-1-oxopropyl)-β-D-lyxo-hexopyranosyl]oxy]-11-ethyl-8-hydroxy-18-(1-hydroxy-1-methylethyl)-9,13,15-trimethyloxacyclooctadeca-3,5,9,13,15-pentaen-2-one
(3E,5E,8S,9E,11S,12R,13E,15E,18S)-3-[[[6-Deoxy-4-O-(3,5-dichloro-2,4-dihydroxy-6-methylbenzoyl)-2-O-methyl-β-D-mannopyranosyl]oxy]methyl]-12-[[6-deoxy-5-C-methyl-4-O-(2-methyl-1-oxopropyl)-β-D-lyxo-hexopyranosyl]oxy]-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyloxacyclooctadeca-3,5,9,13,15-pentaen-2-one
(2R,3S,4S,5S,6R)-4,6-Dihydroxy-5-methoxy-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate