CAS Number
Molecular Formula
C40H42N4O10S
Product format
Neat
Molecular Weight
770.85
API Family
Synonyms
CGD1PI0B4S; Lurbinectedin metabolite M4; UNII-CGD1PI0B4S; PM030047; PM-030047; 577748-36-8; SCHEMBL14772189; SPIRO(6, 16-(EPITHIOPROPANOXYMETHANO)-7, 13-IMINO-12H-1, 3-DIOXOLO(7, 8)ISOQUINO(3, 2-B)(3)BENZAZOCINE-20, 1'-(1H)PYRIDO(3, 4-B)INDOL)-19-ONE, 5-(ACETYLOXY)-2', 3', 4', 6, 6A, 7, 9', 13, 14, 16-DECAHYDRO-8, 14-DIHYDROXY-6', 9-DIMETHOXY-4, 10-DIMETHYL-, (1'R, 6R, 6AR, 7R, 13S, 14S and 16R)-
Iupac Name
[(1R, 2R, 3R, 11S, 12S, 14R, 26R)-5, 12-dihydroxy-6, 6'-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'-2, 3, 4, 9-tetrahydropyrido[3 and 4-b]indole]-22-yl] acetate
InChI
InChI=1S/C40H42N4O10S/c1-16-10-19-11-24-38(47)44-25-13-51-39(48)40(37-21(8-9-41-40)22-12-20(49-4)6-7-23(22)43-37)14-55-36(30(44)29(42-24)26(19)31(46)32(16)50-5)28-27(25)35-34(52-15-53-35)17(2)33(28)54-18(3)45/h6-7,10,12,24-25,29-30,36,38,41-43,46-47H,8-9,11,13-15H2,1-5H3/t24-,25-,29+,30+,36+,38-,40+/m0/s1
