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Trabectedin Impurity 1 (Ecteinascidin 745)

Impurity

CAS Number

114899-28-4

Molecular Formula

C39H43N3O10S

Product format

Neat

Molecular Weight

745.84

Shipping

Room Temperature

API Family

Trabectedin

Synonyms

ecteinascidin 745; ET-745; 114899-28-4; CHEMBL506794; SCHEMBL14020619; SCHEMBL29711408

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

InChI

InChI=1S/C39H43N3O10S/c1-17-9-21-10-22-13-42-24-14-49-38(46)39(23-12-26(47-5)25(44)11-20(23)7-8-40-39)15-53-37(31(42)30(41(22)4)27(21)32(45)33(17)48-6)29-28(24)36-35(50-16-51-36)18(2)34(29)52-19(3)43/h9,11-12,22,24,30-31,37,40,44-45H,7-8,10,13-16H2,1-6H3/t22-,24-,30+,31+,37+,39+/m0/s1


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