| Name(s) |
secoxyloganin methyl ester |
| Scientific name(s) |
74713-15-8; methyl (2s,3r,4s)-3-ethenyl-4-(2-methoxy-2-oxoethyl)-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2h-pyran-5-carboxylate; dimethylsecologanoside; secoxyloganinmethylester; chembl3092673; zinc85645424; akos032948725 |
| Formula |
C18H26O11 |
| Molecular mass |
418.4 |
| IUPAC name |
methyl (2S,3R,4S)-3-ethenyl-4-(2-methoxy-2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate |
| INCHI |
InChI=1S/C18H26O11/c1-4-8-9(5-12(20)25-2)10(16(24)26-3)7-27-17(8)29-18-15(23)14(22)13(21)11(6-19)28-18/h4,7-9,11,13-15,17-19,21-23H,1,5-6H2,2-3H3/t8-,9+,11-,13-,14+,15-,17+,18+/m1/s1 |
| SMILE |
Not available |
| CAS ID |
Not available |
| PubChem ID |
14105070 |
| DrugBank ID |
Not available |
| CHEBI ID |
Not available |
