Products 1246012-26-9
CAS 1246012-26-9 is the registry number for 6-o-Trans-p-coumaroylshanzhiside methyl ester. Offered by: Biosynth, MedChemExpress. Available pack sizes: 5mg, 1mg, 10mg, 25mg, Get quote.
Methyl (1S,4aS,5R,7S,7aS)-7-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate (CAS 1246012-26-9) is a chemical compound with the molecular formula C26H32O13 and a molecular weight of 552.5 g/mol. IUPAC name: methyl (1S,4aS,5R,7S,7aS)-7-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate. InChIKey: ZGUUHRZMAAUFHL-OKHNFGPGSA-N.
| Molecular formula | C26H32O13 |
|---|---|
| Molecular weight | 552.5 g/mol |
| IUPAC name | methyl (1S,4aS,5R,7S,7aS)-7-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate |
| InChIKey | ZGUUHRZMAAUFHL-OKHNFGPGSA-N |
| SMILES | C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O |
Computed by PubChem (NCBI)