Products 209523-03-5
CAS 209523-03-5 is the registry number for Isomacrophylloside. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS,8aR)-4-ethenyl-8-oxo-3,4,4a,5,6,8a-hexahydro-1H-pyrano[3,4-c]pyran-3-yl]oxy]-4-acetyloxy-6-(acetyloxymethyl)-5-[3-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyoxan-3-yl] 2,3-dihydroxybenzoate (CAS 209523-03-5) is a chemical compound with the molecular formula C40H46O22 and a molecular weight of 878.8 g/mol. IUPAC name: [(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS,8aR)-4-ethenyl-8-oxo-3,4,4a,5,6,8a-hexahydro-1H-pyrano[3,4-c]pyran-3-yl]oxy]-4-acetyloxy-6-(acetyloxymethyl)-5-[3-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyoxan-3-yl] 2,3-dihydroxybenzoate. InChIKey: XFNVHPDBJWTMHS-ZMHNNAQHSA-N.
| Molecular formula | C40H46O22 |
|---|---|
| Molecular weight | 878.8 g/mol |
| IUPAC name | [(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS,8aR)-4-ethenyl-8-oxo-3,4,4a,5,6,8a-hexahydro-1H-pyrano[3,4-c]pyran-3-yl]oxy]-4-acetyloxy-6-(acetyloxymethyl)-5-[3-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyoxan-3-yl] 2,3-dihydroxybenzoate |
| InChIKey | XFNVHPDBJWTMHS-ZMHNNAQHSA-N |
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]3CCOC(=O)[C@H]3CO2)C=C)OC(=O)C4=C(C(=CC=C4)O)O)OC(=O)C)OC(=O)C5=C(C(=CC=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
Computed by PubChem (NCBI)