Account A 83586C
- Catalog No. :
- ACIIWH874
- CAS No. :
- 116364-81-9
- Molecular Formula :
- C47H76N8O14
- Molecular Weight :
- 977.17
IUPAC Name:(S)-2-((2R,5S,6S)-6-((S,2E,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl)-2-hydroxy-5-methyltetrahydro-2H-pyran-2-yl)-2-hydroxy-N-((4aR,7S,10R,16aS,19R,22S,23S)-6-hydroxy-19-((S)-1-hydroxyethyl)-22-isopropyl-7,9,10-trimethyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1]oxa[4,7,10,13,16]pentaazacyclononadecin-23-yl)butanamide
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Product Information
| Product Name | A 83586C |
|---|---|
| IUPAC Name | (S)-2-((2R,5S,6S)-6-((S,2E,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl)-2-hydroxy-5-methyltetrahydro-2H-pyran-2-yl)-2-hydroxy-N-((4aR,7S,10R,16aS,19R,22S,23S)-6-hydroxy-19-((S)-1-hydroxyethyl)-22-isopropyl-7,9,10-trimethyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1]oxa[4,7,10,13,16]pentaazacyclononadecin-23-yl)butanamide |
| Molecular Formula | C47H76N8O14 |
| Molecular Weight | 977.17 |
| SMILES | CC[C@](O)([C@@]1(O)CC[C@H](C)[C@@H](/C(C)=C/[C@H](C)C(/C(C)=C/C)=O)O1)C(N[C@@H]2C(N3[C@@](CCCN3)([H])C(N(O)[C@@H](C)C(N(C)[C@H](C)C(N4[C@](CCCN4)([H])C(N[C@H]([C@@H](O)C)C(O[C@H]2C(C)C)=O)=O)=O)=O)=O)=O)=O |
| InChI Key | BJRNAAQGIMGUML-IYSUCPQHSA-N |
| Synonym | A 83586C;36-Deethyl-48-demethoxy-36-methylazinothricin;Antibiotic A-83586C |
| CAS No. | 116364-81-9 |
Synthetic Route by SureRoute
2. ACIIWH874 Molecular Building Block Synthetic Route
N-(6,18-dihydroxy-22-isopropyl-7,19-dimethyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1]oxa[4,7,10,13,16]pentaazacyclononadecin-23-yl)-2-hydroxy-2-(2-hydroxy-6-methyl-5-(2-methylbutyl)tetrahydro-2H-pyran-2-yl)propanamide
(R)-N-((4aR,7S,16aS,19R,22S,23S)-6,18-dihydroxy-22-isopropyl-7-(methoxymethyl)-19-methyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1]oxa[4,7,10,13,16]pentaazacyclononadecin-23-yl)-2-hydroxy-2-((2S,5S,6S)-2-hydroxy-5-isobutyl-6-methyltetrahydro-2H-pyran-2-yl)propanamide
ACDNEY033