Products 1276608-19-5
CAS 1276608-19-5 is the registry number for Anemarsaponin E1. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 1276608-19-5) is a chemical compound with the molecular formula C45H76O20 and a molecular weight of 937.1 g/mol. IUPAC name: (2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: KMPFZNQVETUYHB-LSTPRBAISA-N.
| Molecular formula | C45H76O20 |
|---|---|
| Molecular weight | 937.1 g/mol |
| IUPAC name | (2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChIKey | KMPFZNQVETUYHB-LSTPRBAISA-N |
| SMILES | C[C@H]1[C@H]2[C@H](C([C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)O)OC1(CC[C@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O |
Computed by PubChem (NCBI)
Synonyms:
Anemarsaponin E1, orb2564202