Products 116364-81-9
CAS 116364-81-9 is the registry number for A83586C. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[(2R,5S,6S)-6-[(2E,4S,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxy-N-[(3R,6S,9R,16S,17S,20R,23S)-7-hydroxy-20-[(1S)-1-hydroxyethyl]-3,4,6-trimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]butanamide (CAS 116364-81-9) is a chemical compound with the molecular formula C47H76N8O14 and a molecular weight of 977.2 g/mol. IUPAC name: (2S)-2-[(2R,5S,6S)-6-[(2E,4S,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxy-N-[(3R,6S,9R,16S,17S,20R,23S)-7-hydroxy-20-[(1S)-1-hydroxyethyl]-3,4,6-trimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]butanamide. InChIKey: BJRNAAQGIMGUML-IYSUCPQHSA-N.
| Molecular formula | C47H76N8O14 |
|---|---|
| Molecular weight | 977.2 g/mol |
| IUPAC name | (2S)-2-[(2R,5S,6S)-6-[(2E,4S,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxy-N-[(3R,6S,9R,16S,17S,20R,23S)-7-hydroxy-20-[(1S)-1-hydroxyethyl]-3,4,6-trimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]butanamide |
| InChIKey | BJRNAAQGIMGUML-IYSUCPQHSA-N |
| SMILES | CC[C@@](C(=O)N[C@H]1[C@@H](OC(=O)[C@H](NC(=O)[C@@H]2CCCNN2C(=O)[C@H](N(C(=O)[C@@H](N(C(=O)[C@H]3CCCNN3C1=O)O)C)C)C)[C@H](C)O)C(C)C)([C@]4(CC[C@@H]([C@H](O4)/C(=C/[C@H](C)C(=O)/C(=C/C)/C)/C)C)O)O |
Computed by PubChem (NCBI)
Synonyms:
Antibiotic A 83586C, orb1986986