Products 81941-14-2
CAS 81941-14-2 is the registry number for Lipoaconitine. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(1S,2R,3R,4R,5S,6S,7S,8R,9S,10R,13R,14R,16S,17S,18R)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-8-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate (CAS 81941-14-2) is a chemical compound with the molecular formula C50H75NO11 and a molecular weight of 866.1 g/mol. IUPAC name: [(1S,2R,3R,4R,5S,6S,7S,8R,9S,10R,13R,14R,16S,17S,18R)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-8-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate. InChIKey: BJOATYSXWDPNJK-AXGVEGNCSA-N.
| Molecular formula | C50H75NO11 |
|---|---|
| Molecular weight | 866.1 g/mol |
| IUPAC name | [(1S,2R,3R,4R,5S,6S,7S,8R,9S,10R,13R,14R,16S,17S,18R)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-8-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| InChIKey | BJOATYSXWDPNJK-AXGVEGNCSA-N |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@]12[C@@H]3[C@@H](C[C@]([C@@H]3OC(=O)C4=CC=CC=C4)([C@H]([C@@H]1O)OC)O)[C@]56[C@H](C[C@H]([C@@]7([C@H]5[C@H]([C@@H]2[C@H]6N(C7)CC)OC)COC)O)OC |
Computed by PubChem (NCBI)
Synonyms:
Lipoaconitine