CAS 1376626-08-2 appears in our catalog under these names: Trabectedin Impurity 5, Trabectedine Impurity E. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 1mg.
[(1R,2R,3R,11S,14R,26R)-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-12,27-dioxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate (CAS 1376626-08-2) is a chemical compound with the molecular formula C39H41N3O11S and a molecular weight of 759.8 g/mol. IUPAC name: [(1R,2R,3R,11S,14R,26R)-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-12,27-dioxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate. InChIKey: HURGLJIPFDYHTH-YAJOLDMGSA-N.
| Molecular formula | C39H41N3O11S |
|---|---|
| Molecular weight | 759.8 g/mol |
| IUPAC name | [(1R,2R,3R,11S,14R,26R)-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-12,27-dioxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate |
| InChIKey | HURGLJIPFDYHTH-YAJOLDMGSA-N |
| SMILES | CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4C(=O)[C@H](C2)N3C)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O |
Computed by PubChem (NCBI)