CAS Number
Molecular Formula
C38H41N3O11S
Product format
Neat
Molecular Weight
747.82
API Family
Synonyms
Ecteinascidine 729; Ecteinascidin 729; Et-729; Et 729; LZ2LK33748; RefChem:136269; ((1R, 2R, 3S, 11R, 12S, 14R, 26R)-5, 6', 12-trihydroxy-6, 7'-dimethoxy-7, 21-dimethyl-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; 114899-27-3; CHEMBL506526; SCHEMBL29711477; TRABECTEDIN METABOLITE M8B; (1'R, 6R, 6AR, 7R, 13S, 14S, 16R)-5-(ACETYLOXY)-3', 4', 6, 6A, 7, 13, 14, 16-OCTAHYDRO-6', 8, 14-TRIHYDROXY-7', 9-DIMETHOXY-4, 10-DIMETHYLSPIRO(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; [(1R, 2R, 3R, 11S, 12S, 14R, 26R)-5, 6', 12-Trihydroxy-6, 7'-dimethoxy-7, 21-dimethyl-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, 5-(acetyloxy)-3', 4', 6, 6a, 7, 13, 14, 16-octahydro-6', 8, 14-trihydroxy-7', 9-dimethoxy-4, 10-dimethyl-, (1'R, 6R, 6aR, 7R, 13S, 14S and 16R)-
Iupac Name
[(1R, 2R, 3R, 11S, 12S, 14R, 26R)-5, 6', 12-trihydroxy-6, 7'-dimethoxy-7, 21-dimethyl-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/C38H41N3O11S/c1-15-8-19-9-21-36(45)41-22-12-49-37(46)38(20-11-24(47-4)23(43)10-18(20)6-7-39-38)13-53-35(29(41)28(40-21)25(19)30(44)31(15)48-5)27-26(22)34-33(50-14-51-34)16(2)32(27)52-17(3)42/h8,10-11,21-22,28-29,35-36,39-40,43-45H,6-7,9,12-14H2,1-5H3/t21-,22-,28+,29+,35+,36-,38+/m0/s1
