Products 100242-41-9
CAS 100242-41-9 is the registry number for Endusamycin. Offered by: MedChemExpress. Available pack sizes: Get quote.
(E,2S,4R,8S)-8-[(2S,3R,5S,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5R,6R,9R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-4,6-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid (CAS 100242-41-9) is a chemical compound with the molecular formula C47H78O14 and a molecular weight of 867.1 g/mol. IUPAC name: (E,2S,4R,8S)-8-[(2S,3R,5S,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5R,6R,9R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-4,6-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid. InChIKey: IXZQKHXEQYZXTP-RATZTJMHSA-N.
| Molecular formula | C47H78O14 |
|---|---|
| Molecular weight | 867.1 g/mol |
| IUPAC name | (E,2S,4R,8S)-8-[(2S,3R,5S,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5R,6R,9R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-4,6-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid |
| InChIKey | IXZQKHXEQYZXTP-RATZTJMHSA-N |
| SMILES | C[C@@H]1CC[C@@H](O[C@@]12[C@H](C[C@@H](O2)[C@@H]3[C@H](C[C@H]([C@@](O3)(CO)O)C)C)C)[C@@]4([C@@H](C[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)C)O)O[C@H]6CC[C@@H]([C@H](O6)C)OC)C |
Computed by PubChem (NCBI)
Synonyms:
Endusamycin, orb3024680