Products 1374149-12-8
CAS 1374149-12-8 is the registry number for 23-Epi-26-deoxycimicifugoside. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(1R,1'S,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-yl] acetate (CAS 1374149-12-8) is a chemical compound with the molecular formula C37H54O10 and a molecular weight of 658.8 g/mol. IUPAC name: [(1R,1'S,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-yl] acetate. InChIKey: PBKJAWKRZRAQQO-PQOKMRKVSA-N.
| Molecular formula | C37H54O10 |
|---|---|
| Molecular weight | 658.8 g/mol |
| IUPAC name | [(1R,1'S,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-yl] acetate |
| InChIKey | PBKJAWKRZRAQQO-PQOKMRKVSA-N |
| SMILES | C[C@@H]1C[C@]2([C@H]3[C@](O3)(CO2)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC=C7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C |
Computed by PubChem (NCBI)
Synonyms:
orb1941374