CAS Number
Molecular Formula
C39H43N3O11S
Product format
Neat
Molecular Weight
761.84
API Family
Synonyms
Trabectedin; 114899-77-3; Yondelis; Ecteinascidin; ecteinascidin 743; ET-743; ET743; Et 743; Ect 743; trabectedine; Trabectedina; DTXSID2046880; ID0YZQ2TCP; Ecteinascidins trabectedin; NSC-648766; DTXCID0026880; CHEBI:84050; [(1R, 2R, 3R, 11S, 12S, 14R, 26R)-5, 6', 12-trihydroxy-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; Spiro(6, 16-(epithiopropanoxymethano)-7, 13-imino-12H-1, 3-dioxolo(7, 8)isoquino(3, 2, -b)(3)benzazocine-20, 1'(2'H)-isoquinolin)-19-one, 3', 4', 6, 6a, 7, 13, 14, 16-octahydro-5-(acetyloxy)-6', 8, 14-trihydroxy-7', 9-dimethoxy-4, 10, 23-trimethyl-, (6R-(6-alpha, 6a-beta, 7-beta, 13-beta, 14-beta, 16-alpha, 20R*))-; (1R, 2R, 3R, 11S, 12S, 14R, 26R)-5, 6', 12-trihydroxy-6, 7'-dimethoxy-7, 21, 30-trimethyl-27-oxo-3', 4'-dihydro-2'H-17, 19, 28-trioxa-24-thia-13, 30-diazaspiro[heptacyclo[12.9.6.1^{3, 11}.0^{2, 13}.0^{4, 9}.0^{15, 23}.0^{16, 20}]triacontane-26, 1'-isoquinoline]-4(9), 5, 7, 15(23), 16(20) and 21-hexaen-22-yl acetate
Iupac Name
[(1R, 2R, 3R, 11S, 12S, 14R, 26R)-5, 6', 12-trihydroxy-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 and 4-dihydro-2H-isoquinoline]-22-yl] acetate
InChI
InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1
