Products 90986-52-0
CAS 90986-52-0 is the registry number for Janthitrem F. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(2S,3R,6S,8S,9R,12S,15S,21S,22R)-12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl] acetate (CAS 90986-52-0) is a chemical compound with the molecular formula C39H51NO7 and a molecular weight of 645.8 g/mol. IUPAC name: [(2S,3R,6S,8S,9R,12S,15S,21S,22R)-12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl] acetate. InChIKey: SHMYDSYGDWIPKT-WWVOELFWSA-N.
| Molecular formula | C39H51NO7 |
|---|---|
| Molecular weight | 645.8 g/mol |
| IUPAC name | [(2S,3R,6S,8S,9R,12S,15S,21S,22R)-12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl] acetate |
| InChIKey | SHMYDSYGDWIPKT-WWVOELFWSA-N |
| SMILES | CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC([C@H]8[C@@H]7O)(C)C)(C)C)C)O)C)O[C@@H]1C(C)(C)O |
Computed by PubChem (NCBI)
Synonyms:
Janthitrem F, Janthitrem E monoacetate