Products 114899-28-4

CAS 114899-28-4 appears in our catalog under these names: Trabectedin Impurity 1 (Ecteinascidin 745), ET-745. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.

Trabectedin Impurity 1 (Ecteinascidin 745)
Chemat Brand
  • size: on request
  • Variants: 1
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ET-745
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(1R,2R,3R,11S,14R,26R)-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[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 114899-28-4) is a chemical compound with the molecular formula C39H43N3O10S and a molecular weight of 745.8 g/mol. IUPAC name: [(1R,2R,3R,11S,14R,26R)-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[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: DZGBXOVHGNYJRY-KBVPHHNESA-N.

Identity
Molecular formulaC39H43N3O10S
Molecular weight745.8 g/mol
IUPAC name[(1R,2R,3R,11S,14R,26R)-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[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
InChIKeyDZGBXOVHGNYJRY-KBVPHHNESA-N
SMILESCC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4C[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)

Synonyms: ecteinascidin 745